REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o7d_1_H DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.513 32.500 0.021 0.000 1.064 9 P HA 0.076 nan 4.420 nan 0.000 0.266 9 P C -1.503 175.806 177.300 0.014 0.000 1.186 9 P CA -0.131 62.981 63.100 0.019 0.000 0.767 9 P CB 0.694 32.409 31.700 0.024 0.000 0.820 10 A N 2.295 125.122 122.820 0.011 0.000 2.330 10 A HA 0.520 4.840 4.320 0.000 0.000 0.313 10 A C -0.812 176.775 177.584 0.005 0.000 1.124 10 A CA -0.594 51.447 52.037 0.007 0.000 0.774 10 A CB 1.135 20.139 19.000 0.005 0.000 1.198 10 A HN 0.342 nan 8.150 nan 0.000 0.465 11 V N 2.812 122.726 119.914 0.000 0.000 2.333 11 V HA 0.252 4.372 4.120 0.000 0.000 0.274 11 V C 0.358 176.449 176.094 -0.005 0.000 1.028 11 V CA -0.312 61.987 62.300 -0.002 0.000 0.851 11 V CB 1.111 32.928 31.823 -0.009 0.000 1.000 11 V HN 0.953 nan 8.190 nan 0.000 0.456 12 E N 4.703 124.903 120.200 0.000 0.000 2.089 12 E HA 0.335 4.685 4.350 0.000 0.000 0.284 12 E C -0.859 175.740 176.600 -0.001 0.000 1.023 12 E CA -0.770 55.630 56.400 -0.000 0.000 0.819 12 E CB 1.147 30.849 29.700 0.004 0.000 1.076 12 E HN 0.568 nan 8.360 nan 0.000 0.396 13 L N 5.333 126.551 121.223 -0.007 0.000 2.265 13 L HA 0.281 4.621 4.340 0.000 0.000 0.288 13 L C -0.179 176.690 176.870 -0.003 0.000 1.058 13 L CA 0.509 55.343 54.840 -0.010 0.000 0.809 13 L CB 1.283 43.329 42.059 -0.021 0.000 1.179 13 L HN 0.714 nan 8.230 nan 0.000 0.429 14 D N 2.755 123.158 120.400 0.006 0.000 3.074 14 D HA 0.193 4.833 4.640 0.000 0.000 0.227 14 D C 1.334 177.644 176.300 0.016 0.000 1.553 14 D CA 0.712 54.719 54.000 0.012 0.000 1.347 14 D CB 0.707 41.519 40.800 0.019 0.000 1.021 14 D HN 0.583 nan 8.370 nan 0.000 0.260 15 R N -1.704 118.817 120.500 0.035 0.000 2.243 15 R HA 0.211 4.551 4.340 0.000 0.000 0.193 15 R C 0.160 176.506 176.300 0.078 0.000 0.933 15 R CA -0.126 56.002 56.100 0.047 0.000 1.105 15 R CB 0.627 30.958 30.300 0.052 0.000 1.169 15 R HN 0.218 nan 8.270 nan 0.000 0.599 16 H N -0.030 119.033 119.070 -0.011 0.000 2.572 16 H HA 0.567 5.123 4.556 0.000 0.000 0.359 16 H C -1.467 173.855 175.328 -0.010 0.000 1.134 16 H CA -0.678 55.362 56.048 -0.012 0.000 1.187 16 H CB 1.598 31.353 29.762 -0.012 0.000 1.597 16 H HN -0.002 nan 8.280 nan 0.000 0.524 17 I N 4.185 124.398 120.570 -0.595 0.000 2.607 17 I HA 0.245 4.415 4.170 0.000 0.000 0.290 17 I C -1.269 174.563 176.117 -0.475 0.000 1.129 17 I CA -0.833 60.265 61.300 -0.337 0.000 1.042 17 I CB 1.533 39.423 38.000 -0.184 0.000 1.242 17 I HN 0.853 nan 8.210 nan 0.000 0.421 18 D N 6.149 126.444 120.400 -0.175 0.000 2.387 18 D HA 0.226 4.867 4.640 0.000 0.000 0.251 18 D C 1.037 177.313 176.300 -0.040 0.000 1.141 18 D CA -0.576 53.387 54.000 -0.061 0.000 0.987 18 D CB 0.989 41.831 40.800 0.070 0.000 1.116 18 D HN 0.502 nan 8.370 nan 0.000 0.491 19 L N -0.368 120.856 121.223 0.000 0.000 2.042 19 L HA -0.159 4.181 4.340 0.000 0.000 0.210 19 L C 1.519 178.429 176.870 0.067 0.000 1.076 19 L CA 1.465 56.322 54.840 0.029 0.000 0.749 19 L CB -0.505 41.583 42.059 0.048 0.000 0.893 19 L HN 0.448 nan 8.230 nan 0.000 0.432 20 D N -0.233 120.208 120.400 0.069 0.000 2.117 20 D HA -0.175 4.465 4.640 0.000 0.000 0.197 20 D C 2.344 178.690 176.300 0.076 0.000 0.987 20 D CA 1.069 55.126 54.000 0.096 0.000 0.829 20 D CB -0.116 40.731 40.800 0.079 0.000 0.961 20 D HN 0.409 nan 8.370 nan 0.000 0.460 21 Q N 0.351 120.174 119.800 0.039 0.000 2.084 21 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 21 Q C 2.257 178.256 176.000 -0.001 0.000 0.978 21 Q CA 1.365 57.178 55.803 0.016 0.000 0.844 21 Q CB -0.128 28.608 28.738 -0.003 0.000 0.898 21 Q HN 0.210 nan 8.270 nan 0.000 0.426 22 A N 0.953 123.767 122.820 -0.009 0.000 1.883 22 A HA -0.257 4.063 4.320 0.000 0.000 0.217 22 A C 1.966 179.531 177.584 -0.032 0.000 1.186 22 A CA 1.741 53.760 52.037 -0.030 0.000 0.624 22 A CB -0.884 18.099 19.000 -0.029 0.000 0.822 22 A HN 0.458 nan 8.150 nan 0.000 0.444 23 H N -0.132 118.890 119.070 -0.080 0.000 2.423 23 H HA 0.039 4.595 4.556 0.000 0.000 0.297 23 H C 2.272 177.519 175.328 -0.135 0.000 1.075 23 H CA 1.407 57.369 56.048 -0.144 0.000 1.342 23 H CB -0.157 29.438 29.762 -0.278 0.000 1.395 23 H HN 0.416 nan 8.280 nan 0.000 0.530 24 A N 0.486 123.303 122.820 -0.005 0.000 1.877 24 A HA -0.118 4.202 4.320 0.000 0.000 0.216 24 A C 2.835 180.379 177.584 -0.066 0.000 1.186 24 A CA 1.740 53.774 52.037 -0.005 0.000 0.620 24 A CB -0.898 18.122 19.000 0.033 0.000 0.822 24 A HN 0.284 nan 8.150 nan 0.000 0.443 25 V N -0.262 119.605 119.914 -0.079 0.000 2.307 25 V HA -0.195 3.925 4.120 0.000 0.000 0.245 25 V C 3.062 179.060 176.094 -0.160 0.000 1.045 25 V CA 1.848 64.093 62.300 -0.091 0.000 1.024 25 V CB -1.269 30.506 31.823 -0.080 0.000 0.651 25 V HN 0.609 nan 8.190 nan 0.000 0.449 26 A N 0.802 123.487 122.820 -0.225 0.000 1.940 26 A HA -0.197 4.123 4.320 0.000 0.000 0.219 26 A C 2.359 179.721 177.584 -0.371 0.000 1.176 26 A CA 2.246 54.095 52.037 -0.313 0.000 0.631 26 A CB -0.633 18.186 19.000 -0.302 0.000 0.814 26 A HN 0.699 nan 8.150 nan 0.000 0.446 27 S N -2.112 113.389 115.700 -0.331 0.000 2.593 27 S HA 0.389 4.859 4.470 0.000 0.000 0.217 27 S C 1.347 176.070 174.600 0.205 0.000 0.966 27 S CA 0.971 59.124 58.200 -0.079 0.000 0.914 27 S CB -0.253 62.804 63.200 -0.238 0.000 0.776 27 S HN 1.924 nan 8.310 nan 0.000 0.523 28 G N 0.448 109.299 108.800 0.084 0.000 2.148 28 G HA2 -0.213 3.747 3.960 0.000 0.000 0.254 28 G HA3 -0.213 3.747 3.960 0.000 0.000 0.254 28 G C 0.825 175.792 174.900 0.112 0.000 0.981 28 G CA 0.116 45.326 45.100 0.183 0.000 0.670 28 G HN 0.940 nan 8.290 nan 0.000 0.528 29 G N -0.544 108.295 108.800 0.064 0.000 2.511 29 G HA2 0.575 4.535 3.960 0.000 0.000 0.217 29 G HA3 0.575 4.535 3.960 0.000 0.000 0.217 29 G C 0.654 175.578 174.900 0.040 0.000 1.133 29 G CA 1.718 46.853 45.100 0.058 0.000 0.792 29 G HN 1.818 nan 8.290 nan 0.000 0.539 30 A N -0.428 122.406 122.820 0.024 0.000 2.539 30 A HA 0.790 5.110 4.320 0.000 0.000 0.296 30 A C -0.324 177.263 177.584 0.005 0.000 1.073 30 A CA -0.846 51.200 52.037 0.015 0.000 0.700 30 A CB 1.496 20.503 19.000 0.011 0.000 1.296 30 A HN 0.198 nan 8.150 nan 0.000 0.405 31 R N -0.126 120.377 120.500 0.005 0.000 2.543 31 R HA 0.601 4.941 4.340 0.000 0.000 0.268 31 R C -0.924 175.370 176.300 -0.010 0.000 1.067 31 R CA -0.485 55.614 56.100 -0.001 0.000 1.142 31 R CB 1.219 31.521 30.300 0.003 0.000 1.110 31 R HN 0.618 nan 8.270 nan 0.000 0.549 32 I N 0.865 121.426 120.570 -0.016 0.000 2.474 32 I HA 0.326 4.496 4.170 0.000 0.000 0.294 32 I C -1.255 174.853 176.117 -0.015 0.000 1.005 32 I CA -0.602 60.685 61.300 -0.020 0.000 1.113 32 I CB 1.909 39.890 38.000 -0.032 0.000 1.289 32 I HN 0.197 nan 8.210 nan 0.000 0.436 33 V N 7.559 127.465 119.914 -0.013 0.000 2.760 33 V HA 0.399 4.519 4.120 0.000 0.000 0.309 33 V C -0.779 175.309 176.094 -0.011 0.000 1.077 33 V CA -0.774 61.520 62.300 -0.010 0.000 0.910 33 V CB 1.800 33.619 31.823 -0.006 0.000 1.008 33 V HN 0.577 nan 8.190 nan 0.000 0.424 34 L N 4.330 125.546 121.223 -0.011 0.000 2.281 34 L HA 0.728 5.068 4.340 0.000 0.000 0.285 34 L C 0.755 177.621 176.870 -0.007 0.000 1.074 34 L CA 0.378 55.212 54.840 -0.010 0.000 0.817 34 L CB 0.882 42.933 42.059 -0.013 0.000 1.168 34 L HN 0.868 nan 8.230 nan 0.000 0.434 35 A N 6.927 129.744 122.820 -0.004 0.000 2.466 35 A HA 0.347 4.667 4.320 0.000 0.000 0.238 35 A C -1.592 175.991 177.584 -0.002 0.000 1.074 35 A CA -0.716 51.321 52.037 -0.001 0.000 0.774 35 A CB -0.386 18.616 19.000 0.003 0.000 1.015 35 A HN 0.786 nan 8.150 nan 0.000 0.498 36 P HA -0.170 nan 4.420 nan 0.000 0.215 36 P C -1.286 176.013 177.300 -0.002 0.000 1.163 36 P CA 2.109 65.208 63.100 -0.002 0.000 0.894 36 P CB -0.733 30.966 31.700 -0.001 0.000 0.791 37 P HA -0.155 nan 4.420 nan 0.000 0.218 37 P C 1.290 178.590 177.300 0.001 0.000 1.149 37 P CA 1.923 65.023 63.100 0.001 0.000 0.817 37 P CB -0.436 31.267 31.700 0.004 0.000 0.785 38 A N 0.582 123.402 122.820 0.001 0.000 1.898 38 A HA -0.159 4.161 4.320 0.000 0.000 0.216 38 A C 2.562 180.144 177.584 -0.004 0.000 1.181 38 A CA 1.450 53.487 52.037 -0.000 0.000 0.620 38 A CB -1.285 17.714 19.000 -0.002 0.000 0.819 38 A HN 0.054 nan 8.150 nan 0.000 0.442 39 R N -0.211 120.285 120.500 -0.007 0.000 2.081 39 R HA -0.170 4.170 4.340 0.000 0.000 0.235 39 R C 1.389 177.683 176.300 -0.011 0.000 1.131 39 R CA 1.912 58.005 56.100 -0.011 0.000 0.960 39 R CB -0.342 29.951 30.300 -0.011 0.000 0.856 39 R HN 0.487 nan 8.270 nan 0.000 0.436 40 D N 0.092 120.488 120.400 -0.007 0.000 2.097 40 D HA -0.146 4.494 4.640 0.000 0.000 0.197 40 D C 2.033 178.330 176.300 -0.005 0.000 0.984 40 D CA 1.101 55.097 54.000 -0.006 0.000 0.826 40 D CB -0.199 40.599 40.800 -0.003 0.000 0.973 40 D HN 0.299 nan 8.370 nan 0.000 0.460 41 R N 0.192 120.691 120.500 -0.001 0.000 2.105 41 R HA -0.091 4.249 4.340 0.000 0.000 0.239 41 R C 2.535 178.836 176.300 0.001 0.000 1.135 41 R CA 0.994 57.095 56.100 0.003 0.000 0.967 41 R CB -0.516 29.788 30.300 0.007 0.000 0.861 41 R HN 0.239 nan 8.270 nan 0.000 0.442 42 C N -0.066 119.231 119.300 -0.004 0.000 2.440 42 C HA -0.001 4.459 4.460 0.000 0.000 0.278 42 C C 2.588 177.565 174.990 -0.023 0.000 1.295 42 C CA 0.386 59.398 59.018 -0.010 0.000 1.738 42 C CB -0.756 26.975 27.740 -0.015 0.000 1.987 42 C HN 0.459 nan 8.230 nan 0.000 0.492 43 R N 1.215 121.701 120.500 -0.024 0.000 2.081 43 R HA -0.103 4.237 4.340 0.000 0.000 0.235 43 R C 2.376 178.660 176.300 -0.028 0.000 1.131 43 R CA 1.613 57.695 56.100 -0.031 0.000 0.960 43 R CB -0.493 29.793 30.300 -0.024 0.000 0.856 43 R HN 0.542 nan 8.270 nan 0.000 0.436 44 A N 0.238 123.048 122.820 -0.018 0.000 1.972 44 A HA -0.164 4.156 4.320 0.000 0.000 0.219 44 A C 2.180 179.752 177.584 -0.022 0.000 1.169 44 A CA 1.752 53.780 52.037 -0.015 0.000 0.635 44 A CB -0.451 18.547 19.000 -0.003 0.000 0.810 44 A HN 0.294 nan 8.150 nan 0.000 0.446 45 S N -0.820 114.869 115.700 -0.018 0.000 2.371 45 S HA -0.171 4.299 4.470 0.000 0.000 0.224 45 S C 2.012 176.559 174.600 -0.090 0.000 1.029 45 S CA 1.434 59.620 58.200 -0.024 0.000 0.978 45 S CB -0.323 62.888 63.200 0.018 0.000 0.833 45 S HN 0.676 nan 8.310 nan 0.000 0.466 46 E N 0.410 120.564 120.200 -0.077 0.000 2.118 46 E HA -0.151 4.199 4.350 0.000 0.000 0.195 46 E C 2.046 178.588 176.600 -0.098 0.000 0.992 46 E CA 1.114 57.456 56.400 -0.097 0.000 0.804 46 E CB -0.350 29.298 29.700 -0.085 0.000 0.741 46 E HN 0.606 nan 8.360 nan 0.000 0.458 47 A N 1.270 124.047 122.820 -0.071 0.000 1.898 47 A HA -0.154 4.166 4.320 0.000 0.000 0.216 47 A C 2.141 179.676 177.584 -0.083 0.000 1.181 47 A CA 1.268 53.271 52.037 -0.057 0.000 0.620 47 A CB -0.398 18.582 19.000 -0.034 0.000 0.819 47 A HN 0.176 nan 8.150 nan 0.000 0.442 48 R N -1.124 119.313 120.500 -0.106 0.000 2.096 48 R HA -0.109 4.231 4.340 0.000 0.000 0.235 48 R C 2.093 178.237 176.300 -0.260 0.000 1.127 48 R CA 1.384 57.407 56.100 -0.128 0.000 0.968 48 R CB -0.605 29.644 30.300 -0.085 0.000 0.861 48 R HN 0.503 nan 8.270 nan 0.000 0.440 49 L N 0.602 121.579 121.223 -0.411 0.000 2.017 49 L HA -0.018 4.322 4.340 0.000 0.000 0.208 49 L C 2.181 178.908 176.870 -0.238 0.000 1.073 49 L CA 2.154 56.666 54.840 -0.548 0.000 0.745 49 L CB -1.093 40.657 42.059 -0.516 0.000 0.894 49 L HN 0.156 nan 8.230 nan 0.000 0.432 50 G N -0.942 107.774 108.800 -0.139 0.000 2.440 50 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 50 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 50 G C 1.597 176.465 174.900 -0.052 0.000 1.154 50 G CA 1.002 46.063 45.100 -0.064 0.000 0.767 50 G HN 0.673 nan 8.290 nan 0.000 0.552 51 A N 0.062 122.847 122.820 -0.058 0.000 1.902 51 A HA 0.080 4.400 4.320 0.000 0.000 0.217 51 A C 2.624 180.199 177.584 -0.015 0.000 1.181 51 A CA 1.825 53.845 52.037 -0.029 0.000 0.623 51 A CB -0.703 18.283 19.000 -0.023 0.000 0.818 51 A HN 0.268 nan 8.150 nan 0.000 0.443 52 V N 0.446 120.342 119.914 -0.030 0.000 2.282 52 V HA -0.317 3.803 4.120 0.000 0.000 0.249 52 V C 2.443 178.557 176.094 0.034 0.000 1.057 52 V CA 2.275 64.590 62.300 0.025 0.000 1.032 52 V CB -0.707 31.141 31.823 0.042 0.000 0.645 52 V HN 0.589 nan 8.190 nan 0.000 0.447 53 I N -0.603 119.971 120.570 0.005 0.000 2.252 53 I HA -0.240 3.930 4.170 0.000 0.000 0.245 53 I C 2.711 178.834 176.117 0.010 0.000 1.102 53 I CA 1.592 62.900 61.300 0.015 0.000 1.385 53 I CB -0.415 37.584 38.000 -0.001 0.000 1.064 53 I HN 0.201 nan 8.210 nan 0.000 0.414 54 R N 1.381 121.882 120.500 0.001 0.000 2.081 54 R HA -0.172 4.168 4.340 0.000 0.000 0.235 54 R C 1.875 178.180 176.300 0.009 0.000 1.131 54 R CA 1.524 57.624 56.100 0.001 0.000 0.960 54 R CB -0.097 30.201 30.300 -0.004 0.000 0.856 54 R HN 0.361 nan 8.270 nan 0.000 0.436 55 E N -0.695 119.515 120.200 0.017 0.000 2.502 55 E HA 0.123 4.473 4.350 0.000 0.000 0.194 55 E C 0.087 176.705 176.600 0.031 0.000 1.062 55 E CA 0.421 56.835 56.400 0.024 0.000 0.867 55 E CB 0.435 30.154 29.700 0.032 0.000 0.888 55 E HN 0.438 nan 8.360 nan 0.000 0.510 56 A N 1.914 124.754 122.820 0.032 0.000 2.791 56 A HA -0.219 4.102 4.320 0.000 0.000 0.292 56 A C -0.033 177.586 177.584 0.058 0.000 1.487 56 A CA 0.500 52.558 52.037 0.034 0.000 0.760 56 A CB -1.317 17.692 19.000 0.016 0.000 1.031 56 A HN 0.119 nan 8.150 nan 0.000 0.503 57 R N 0.129 120.682 120.500 0.089 0.000 2.594 57 R HA 0.158 4.498 4.340 0.000 0.000 0.272 57 R C 0.485 176.897 176.300 0.188 0.000 1.074 57 R CA -0.209 55.970 56.100 0.132 0.000 1.105 57 R CB 0.168 30.558 30.300 0.150 0.000 1.008 57 R HN 0.712 nan 8.270 nan 0.000 0.472 58 H N 1.806 120.915 119.070 0.066 0.000 3.160 58 H HA 0.219 4.775 4.556 0.000 0.000 0.257 58 H C -0.863 174.530 175.328 0.108 0.000 1.140 58 H CA -0.374 55.703 56.048 0.049 0.000 1.492 58 H CB 0.232 29.997 29.762 0.005 0.000 1.529 58 H HN 0.051 nan 8.280 nan 0.000 0.490 59 V N 6.167 126.273 119.914 0.320 0.000 2.760 59 V HA 0.000 4.120 4.120 0.000 0.000 0.309 59 V C -0.788 175.519 176.094 0.356 0.000 1.077 59 V CA -1.012 61.509 62.300 0.369 0.000 0.910 59 V CB 1.454 33.490 31.823 0.355 0.000 1.008 59 V HN 0.644 nan 8.190 nan 0.000 0.424 60 Y N 3.608 124.164 120.300 0.426 0.000 2.729 60 Y HA 0.386 4.936 4.550 0.000 0.000 0.331 60 Y C 1.326 177.315 175.900 0.148 0.000 1.208 60 Y CA 1.645 59.879 58.100 0.223 0.000 1.521 60 Y CB 0.437 39.088 38.460 0.319 0.000 1.233 60 Y HN 1.047 nan 8.280 nan 0.000 0.539 61 G N 4.131 112.605 108.800 -0.544 0.000 2.225 61 G HA2 -0.301 3.659 3.960 0.000 0.000 0.254 61 G HA3 -0.301 3.659 3.960 0.000 0.000 0.254 61 G C 0.648 175.492 174.900 -0.092 0.000 0.988 61 G CA 0.532 45.407 45.100 -0.374 0.000 0.625 61 G HN 0.670 nan 8.290 nan 0.000 0.527 62 L N 0.100 121.315 121.223 -0.013 0.000 2.537 62 L HA 0.309 4.649 4.340 0.000 0.000 0.224 62 L C 2.056 178.929 176.870 0.006 0.000 1.065 62 L CA 1.584 56.451 54.840 0.044 0.000 0.860 62 L CB 0.561 42.697 42.059 0.128 0.000 1.086 62 L HN 0.489 nan 8.230 nan 0.000 0.482 63 T N -4.179 110.371 114.554 -0.008 0.000 3.567 63 T HA 0.178 4.528 4.350 0.000 0.000 0.314 63 T C 0.167 174.834 174.700 -0.054 0.000 0.942 63 T CA 0.117 62.206 62.100 -0.018 0.000 0.997 63 T CB -0.058 68.829 68.868 0.032 0.000 1.205 63 T HN 0.152 nan 8.240 nan 0.000 0.518 64 T N -2.013 112.451 114.554 -0.150 0.000 2.841 64 T HA 0.800 5.150 4.350 0.000 0.000 0.296 64 T C 0.635 175.057 174.700 -0.464 0.000 1.166 64 T CA -0.254 61.732 62.100 -0.190 0.000 1.007 64 T CB 1.412 70.252 68.868 -0.046 0.000 1.253 64 T HN 0.315 nan 8.240 nan 0.000 0.511 65 G N -0.262 108.317 108.800 -0.367 0.000 2.489 65 G HA2 0.576 4.536 3.960 0.000 0.000 0.271 65 G HA3 0.576 4.536 3.960 0.000 0.000 0.271 65 G C -1.146 173.311 174.900 -0.738 0.000 1.427 65 G CA -0.749 44.063 45.100 -0.480 0.000 1.057 65 G HN 0.555 nan 8.290 nan 0.000 0.532 66 F N -1.293 118.631 119.950 -0.043 0.000 2.579 66 F HA 0.619 5.146 4.527 0.000 0.000 0.324 66 F C 1.050 176.956 175.800 0.176 0.000 1.058 66 F CA 0.289 58.325 58.000 0.061 0.000 0.944 66 F CB 1.555 40.592 39.000 0.063 0.000 1.245 66 F HN 1.049 nan 8.300 nan 0.000 0.477 67 G N 1.924 111.030 108.800 0.509 0.000 2.582 67 G HA2 -0.279 3.681 3.960 0.000 0.000 0.288 67 G HA3 -0.279 3.681 3.960 0.000 0.000 0.288 67 G C -1.966 173.046 174.900 0.187 0.000 1.247 67 G CA -0.146 45.111 45.100 0.261 0.000 0.972 67 G HN 0.512 nan 8.290 nan 0.000 0.557 68 P HA 0.118 nan 4.420 nan 0.000 0.228 68 P C 1.665 179.006 177.300 0.068 0.000 1.151 68 P CA 0.748 63.894 63.100 0.077 0.000 0.770 68 P CB -0.077 31.654 31.700 0.052 0.000 0.786 69 L N -1.782 119.486 121.223 0.075 0.000 2.612 69 L HA 0.165 4.505 4.340 0.000 0.000 0.230 69 L C 2.013 178.897 176.870 0.024 0.000 1.140 69 L CA 0.070 54.931 54.840 0.036 0.000 0.896 69 L CB -0.655 41.414 42.059 0.017 0.000 1.065 69 L HN -0.031 nan 8.230 nan 0.000 0.447 70 A N 1.431 124.301 122.820 0.084 0.000 2.067 70 A HA -0.180 4.140 4.320 0.000 0.000 0.219 70 A C 2.052 179.679 177.584 0.071 0.000 1.158 70 A CA 1.451 53.547 52.037 0.099 0.000 0.661 70 A CB -0.486 18.665 19.000 0.252 0.000 0.801 70 A HN 0.650 nan 8.150 nan 0.000 0.452 71 N N -0.312 118.421 118.700 0.054 0.000 2.520 71 N HA -0.093 4.647 4.740 0.000 0.000 0.185 71 N C 0.128 175.645 175.510 0.010 0.000 1.068 71 N CA 0.442 53.517 53.050 0.041 0.000 0.911 71 N CB -0.269 38.236 38.487 0.031 0.000 0.961 71 N HN 0.221 nan 8.380 nan 0.000 0.446 72 R N 1.048 121.543 120.500 -0.009 0.000 2.205 72 R HA 0.371 4.711 4.340 0.000 0.000 0.342 72 R C -0.192 176.074 176.300 -0.057 0.000 1.058 72 R CA -0.263 55.817 56.100 -0.034 0.000 0.904 72 R CB 0.634 30.909 30.300 -0.040 0.000 1.089 72 R HN 0.163 nan 8.270 nan 0.000 0.471 73 L N 4.159 125.342 121.223 -0.066 0.000 2.397 73 L HA 0.325 4.665 4.340 0.000 0.000 0.271 73 L C 0.172 176.991 176.870 -0.084 0.000 1.148 73 L CA -0.305 54.479 54.840 -0.092 0.000 0.825 73 L CB 0.519 42.496 42.059 -0.137 0.000 1.117 73 L HN 0.347 nan 8.230 nan 0.000 0.456 74 I N 1.226 121.743 120.570 -0.087 0.000 2.562 74 I HA 0.262 4.432 4.170 0.000 0.000 0.301 74 I C 0.427 176.510 176.117 -0.056 0.000 1.003 74 I CA -0.383 60.873 61.300 -0.074 0.000 1.127 74 I CB 1.905 39.850 38.000 -0.093 0.000 1.304 74 I HN 0.634 nan 8.210 nan 0.000 0.446 75 S N 2.588 118.262 115.700 -0.044 0.000 2.617 75 S HA 0.359 4.829 4.470 0.000 0.000 0.269 75 S C 1.178 175.762 174.600 -0.026 0.000 1.292 75 S CA -0.063 58.117 58.200 -0.033 0.000 1.010 75 S CB 1.416 64.599 63.200 -0.028 0.000 0.944 75 S HN 0.861 nan 8.310 nan 0.000 0.536 76 G N 0.152 108.940 108.800 -0.020 0.000 2.509 76 G HA2 -0.065 3.895 3.960 0.000 0.000 0.218 76 G HA3 -0.065 3.895 3.960 0.000 0.000 0.218 76 G C 0.897 175.788 174.900 -0.015 0.000 1.124 76 G CA 0.139 45.231 45.100 -0.014 0.000 0.776 76 G HN 0.859 nan 8.290 nan 0.000 0.547 77 E N 0.463 120.654 120.200 -0.016 0.000 2.511 77 E HA 0.020 4.370 4.350 0.000 0.000 0.196 77 E C 0.734 177.327 176.600 -0.012 0.000 1.066 77 E CA 0.078 56.470 56.400 -0.014 0.000 0.871 77 E CB 0.138 29.830 29.700 -0.013 0.000 0.863 77 E HN 0.354 nan 8.360 nan 0.000 0.520 78 N N -0.396 118.296 118.700 -0.013 0.000 2.184 78 N HA 0.032 4.772 4.740 0.000 0.000 0.234 78 N C 1.123 176.628 175.510 -0.007 0.000 1.282 78 N CA 0.135 53.179 53.050 -0.010 0.000 0.877 78 N CB 1.218 39.697 38.487 -0.013 0.000 1.184 78 N HN -0.047 nan 8.380 nan 0.000 0.510 79 V N 1.191 121.100 119.914 -0.008 0.000 2.407 79 V HA -0.177 3.943 4.120 0.000 0.000 0.248 79 V C 2.445 178.546 176.094 0.012 0.000 1.055 79 V CA 1.421 63.721 62.300 0.000 0.000 1.049 79 V CB -0.208 31.616 31.823 0.003 0.000 0.662 79 V HN 0.227 nan 8.190 nan 0.000 0.455 80 R N 0.250 120.751 120.500 0.002 0.000 2.083 80 R HA -0.126 4.214 4.340 0.000 0.000 0.237 80 R C 2.380 178.679 176.300 -0.003 0.000 1.137 80 R CA 1.997 58.096 56.100 -0.002 0.000 0.951 80 R CB -1.383 28.911 30.300 -0.010 0.000 0.851 80 R HN 0.519 nan 8.270 nan 0.000 0.434 81 T N 2.378 116.933 114.554 0.003 0.000 2.746 81 T HA -0.127 4.223 4.350 0.000 0.000 0.267 81 T C 1.889 176.604 174.700 0.024 0.000 1.039 81 T CA 1.096 63.201 62.100 0.008 0.000 1.142 81 T CB -0.309 68.568 68.868 0.016 0.000 0.866 81 T HN 0.081 nan 8.240 nan 0.000 0.444 82 L N 1.402 122.651 121.223 0.043 0.000 1.971 82 L HA -0.165 4.175 4.340 0.000 0.000 0.215 82 L C 2.449 179.429 176.870 0.184 0.000 1.072 82 L CA 1.869 56.771 54.840 0.104 0.000 0.758 82 L CB -0.719 41.369 42.059 0.048 0.000 0.889 82 L HN 0.255 nan 8.230 nan 0.000 0.433 83 Q N -0.829 119.045 119.800 0.122 0.000 2.224 83 Q HA -0.111 4.229 4.340 0.000 0.000 0.203 83 Q C 2.194 178.157 176.000 -0.062 0.000 0.970 83 Q CA 1.239 57.090 55.803 0.080 0.000 0.865 83 Q CB -0.320 28.455 28.738 0.061 0.000 0.922 83 Q HN 0.714 nan 8.270 nan 0.000 0.445 84 A N 1.723 124.482 122.820 -0.102 0.000 1.898 84 A HA -0.167 4.153 4.320 0.000 0.000 0.216 84 A C 1.747 179.044 177.584 -0.478 0.000 1.181 84 A CA 1.313 53.181 52.037 -0.282 0.000 0.620 84 A CB -0.281 18.588 19.000 -0.218 0.000 0.819 84 A HN 0.261 nan 8.150 nan 0.000 0.442 85 N N -0.293 118.299 118.700 -0.180 0.000 2.396 85 N HA -0.071 4.669 4.740 0.000 0.000 0.180 85 N C 1.515 177.065 175.510 0.066 0.000 1.028 85 N CA 1.042 54.084 53.050 -0.013 0.000 0.893 85 N CB -0.401 38.165 38.487 0.132 0.000 0.967 85 N HN 0.451 nan 8.380 nan 0.000 0.440 86 L N 0.900 122.106 121.223 -0.028 0.000 1.994 86 L HA -0.084 4.256 4.340 0.000 0.000 0.208 86 L C 1.939 178.546 176.870 -0.439 0.000 1.071 86 L CA 1.442 56.125 54.840 -0.260 0.000 0.745 86 L CB -0.736 40.975 42.059 -0.580 0.000 0.892 86 L HN -0.129 nan 8.230 nan 0.000 0.431 87 V N -0.175 119.542 119.914 -0.329 0.000 2.392 87 V HA -0.358 3.762 4.120 0.000 0.000 0.249 87 V C 2.392 178.365 176.094 -0.201 0.000 1.059 87 V CA 2.246 64.373 62.300 -0.288 0.000 1.051 87 V CB -1.047 30.638 31.823 -0.230 0.000 0.658 87 V HN 0.630 nan 8.190 nan 0.000 0.455 88 H N -0.375 118.590 119.070 -0.175 0.000 2.270 88 H HA -0.179 4.377 4.556 0.000 0.000 0.299 88 H C 2.380 177.639 175.328 -0.115 0.000 1.077 88 H CA 1.638 57.615 56.048 -0.119 0.000 1.294 88 H CB -0.264 29.479 29.762 -0.031 0.000 1.371 88 H HN 0.657 nan 8.280 nan 0.000 0.491 89 H N 0.690 119.792 119.070 0.052 0.000 2.489 89 H HA -0.067 4.489 4.556 0.000 0.000 0.293 89 H C 1.838 177.141 175.328 -0.042 0.000 1.066 89 H CA 0.900 56.948 56.048 0.001 0.000 1.305 89 H CB -0.260 29.506 29.762 0.006 0.000 1.386 89 H HN 0.339 nan 8.280 nan 0.000 0.551 90 L N 0.819 121.718 121.223 -0.541 0.000 2.341 90 L HA 0.158 4.498 4.340 0.000 0.000 0.214 90 L C 1.999 178.725 176.870 -0.240 0.000 1.115 90 L CA 0.374 54.971 54.840 -0.406 0.000 0.820 90 L CB -0.064 41.690 42.059 -0.509 0.000 0.944 90 L HN 0.252 nan 8.230 nan 0.000 0.452 91 A N 0.191 122.830 122.820 -0.301 0.000 2.958 91 A HA 0.107 4.427 4.320 0.000 0.000 0.247 91 A C 1.267 178.784 177.584 -0.112 0.000 1.679 91 A CA 0.385 52.101 52.037 -0.536 0.000 1.345 91 A CB -0.721 17.916 19.000 -0.606 0.000 1.013 91 A HN 0.375 nan 8.150 nan 0.000 0.641 92 S N -0.676 115.070 115.700 0.076 0.000 2.574 92 S HA 0.385 4.855 4.470 0.000 0.000 0.242 92 S C 0.862 175.560 174.600 0.165 0.000 0.982 92 S CA 0.051 58.322 58.200 0.119 0.000 0.977 92 S CB 0.034 63.271 63.200 0.062 0.000 0.814 92 S HN 0.734 nan 8.310 nan 0.000 0.464 93 G N 1.421 110.424 108.800 0.339 0.000 2.544 93 G HA2 0.510 4.470 3.960 0.000 0.000 0.242 93 G HA3 0.510 4.470 3.960 0.000 0.000 0.242 93 G C -0.137 174.729 174.900 -0.055 0.000 1.247 93 G CA 0.087 45.214 45.100 0.044 0.000 0.840 93 G HN 1.042 nan 8.290 nan 0.000 0.578 94 V N -1.245 118.629 119.914 -0.067 0.000 3.165 94 V HA 1.029 5.150 4.120 0.000 0.000 0.309 94 V C 0.563 176.620 176.094 -0.062 0.000 1.267 94 V CA -0.113 62.153 62.300 -0.057 0.000 1.067 94 V CB 1.072 32.883 31.823 -0.021 0.000 1.082 94 V HN 2.567 nan 8.190 nan 0.000 0.451 95 G N 0.384 109.157 108.800 -0.046 0.000 2.712 95 G HA2 0.070 4.030 3.960 0.000 0.000 0.683 95 G HA3 0.070 4.030 3.960 0.000 0.000 0.683 95 G C -2.736 172.139 174.900 -0.042 0.000 1.320 95 G CA -0.290 44.788 45.100 -0.037 0.000 0.847 95 G HN 1.126 nan 8.290 nan 0.000 0.553 96 P HA 0.402 nan 4.420 nan 0.000 0.269 96 P C 0.850 178.131 177.300 -0.031 0.000 1.209 96 P CA 0.432 63.520 63.100 -0.021 0.000 0.776 96 P CB 0.788 32.484 31.700 -0.005 0.000 0.876 97 V N 1.220 121.117 119.914 -0.028 0.000 2.924 97 V HA 0.169 4.289 4.120 0.000 0.000 0.305 97 V C 0.664 176.751 176.094 -0.011 0.000 1.073 97 V CA -0.688 61.590 62.300 -0.036 0.000 1.098 97 V CB -0.465 31.342 31.823 -0.027 0.000 1.000 97 V HN 0.298 nan 8.190 nan 0.000 0.484 98 L N 2.774 123.987 121.223 -0.018 0.000 2.461 98 L HA 0.250 4.590 4.340 0.000 0.000 0.272 98 L C 0.622 177.512 176.870 0.033 0.000 1.197 98 L CA -0.235 54.606 54.840 0.003 0.000 0.836 98 L CB 0.201 42.252 42.059 -0.014 0.000 1.105 98 L HN 1.026 nan 8.230 nan 0.000 0.477 99 D N 0.121 120.557 120.400 0.060 0.000 2.368 99 D HA -0.117 4.523 4.640 0.000 0.000 0.240 99 D C 0.717 177.107 176.300 0.151 0.000 1.169 99 D CA -0.419 53.650 54.000 0.113 0.000 0.906 99 D CB 0.512 41.385 40.800 0.121 0.000 1.187 99 D HN 0.546 nan 8.370 nan 0.000 0.435 100 W N 1.311 122.616 121.300 0.008 0.000 2.290 100 W HA -0.317 4.343 4.660 0.000 0.000 0.328 100 W C 2.217 178.732 176.519 -0.007 0.000 1.272 100 W CA 2.944 60.293 57.345 0.007 0.000 1.262 100 W CB -0.873 28.593 29.460 0.010 0.000 1.151 100 W HN 0.452 nan 8.180 nan 0.000 0.473 101 T N -0.311 114.370 114.554 0.212 0.000 2.746 101 T HA -0.218 4.132 4.350 0.000 0.000 0.267 101 T C 1.570 176.195 174.700 -0.126 0.000 1.039 101 T CA 2.321 64.399 62.100 -0.037 0.000 1.142 101 T CB -0.878 68.057 68.868 0.112 0.000 0.866 101 T HN 0.203 nan 8.240 nan 0.000 0.444 102 T N 1.899 116.437 114.554 -0.027 0.000 2.777 102 T HA 0.035 4.385 4.350 0.000 0.000 0.266 102 T C 2.431 177.084 174.700 -0.077 0.000 1.040 102 T CA 1.077 63.159 62.100 -0.030 0.000 1.141 102 T CB -0.537 68.342 68.868 0.019 0.000 0.868 102 T HN 0.423 nan 8.240 nan 0.000 0.444 103 A N 1.707 124.472 122.820 -0.093 0.000 1.940 103 A HA -0.128 4.192 4.320 0.000 0.000 0.219 103 A C 2.359 179.842 177.584 -0.168 0.000 1.176 103 A CA 1.460 53.430 52.037 -0.112 0.000 0.631 103 A CB -0.454 18.486 19.000 -0.100 0.000 0.814 103 A HN 0.410 nan 8.150 nan 0.000 0.446 104 R N -0.716 119.618 120.500 -0.276 0.000 2.115 104 R HA 0.057 4.398 4.340 0.000 0.000 0.226 104 R C 2.405 178.577 176.300 -0.215 0.000 1.100 104 R CA 0.949 56.861 56.100 -0.313 0.000 0.980 104 R CB -0.366 29.603 30.300 -0.552 0.000 0.875 104 R HN 0.499 nan 8.270 nan 0.000 0.445 105 A N 1.111 123.822 122.820 -0.181 0.000 1.972 105 A HA -0.182 4.138 4.320 0.000 0.000 0.219 105 A C 2.098 179.630 177.584 -0.088 0.000 1.169 105 A CA 1.237 53.200 52.037 -0.123 0.000 0.635 105 A CB -0.415 18.536 19.000 -0.081 0.000 0.810 105 A HN 0.313 nan 8.150 nan 0.000 0.446 106 M N -0.322 119.229 119.600 -0.082 0.000 2.099 106 M HA -0.115 4.365 4.480 0.000 0.000 0.262 106 M C 1.901 178.164 176.300 -0.062 0.000 1.067 106 M CA 1.951 57.216 55.300 -0.059 0.000 1.124 106 M CB -0.226 32.342 32.600 -0.053 0.000 1.353 106 M HN 0.190 nan 8.290 nan 0.000 0.410 107 V N 1.134 121.000 119.914 -0.079 0.000 2.332 107 V HA -0.283 3.837 4.120 0.000 0.000 0.248 107 V C 2.425 178.479 176.094 -0.065 0.000 1.055 107 V CA 1.779 64.037 62.300 -0.069 0.000 1.038 107 V CB -0.992 30.783 31.823 -0.080 0.000 0.651 107 V HN 0.583 nan 8.190 nan 0.000 0.450 108 L N 0.933 122.107 121.223 -0.082 0.000 2.017 108 L HA -0.087 4.254 4.340 0.000 0.000 0.208 108 L C 2.478 179.312 176.870 -0.060 0.000 1.073 108 L CA 2.377 57.172 54.840 -0.075 0.000 0.745 108 L CB -1.067 40.937 42.059 -0.091 0.000 0.894 108 L HN 0.217 nan 8.230 nan 0.000 0.432 109 A N -0.333 122.453 122.820 -0.057 0.000 1.892 109 A HA -0.304 4.016 4.320 0.000 0.000 0.218 109 A C 2.488 180.050 177.584 -0.037 0.000 1.188 109 A CA 2.092 54.101 52.037 -0.047 0.000 0.631 109 A CB -0.685 18.291 19.000 -0.040 0.000 0.822 109 A HN 0.493 nan 8.150 nan 0.000 0.447 110 R N -0.748 119.732 120.500 -0.032 0.000 2.096 110 R HA -0.090 4.250 4.340 0.000 0.000 0.235 110 R C 1.951 178.238 176.300 -0.021 0.000 1.127 110 R CA 1.565 57.652 56.100 -0.021 0.000 0.968 110 R CB -0.631 29.657 30.300 -0.020 0.000 0.861 110 R HN 0.464 nan 8.270 nan 0.000 0.440 111 L N -0.198 121.008 121.223 -0.029 0.000 2.046 111 L HA -0.091 4.249 4.340 0.000 0.000 0.208 111 L C 1.897 178.750 176.870 -0.027 0.000 1.077 111 L CA 1.606 56.429 54.840 -0.027 0.000 0.747 111 L CB -0.492 41.547 42.059 -0.035 0.000 0.896 111 L HN 0.060 nan 8.230 nan 0.000 0.432 112 V N -0.957 118.936 119.914 -0.036 0.000 2.343 112 V HA -0.281 3.839 4.120 0.000 0.000 0.247 112 V C 2.775 178.852 176.094 -0.028 0.000 1.051 112 V CA 1.838 64.114 62.300 -0.040 0.000 1.036 112 V CB -0.942 30.846 31.823 -0.058 0.000 0.654 112 V HN 0.650 nan 8.190 nan 0.000 0.451 113 S N -0.316 115.370 115.700 -0.024 0.000 2.356 113 S HA -0.158 4.313 4.470 0.000 0.000 0.223 113 S C 1.937 176.536 174.600 -0.001 0.000 1.032 113 S CA 1.767 59.959 58.200 -0.014 0.000 1.005 113 S CB -0.359 62.836 63.200 -0.009 0.000 0.867 113 S HN 0.516 nan 8.310 nan 0.000 0.449 114 I N 1.739 122.310 120.570 0.001 0.000 2.226 114 I HA -0.166 4.004 4.170 0.000 0.000 0.245 114 I C 2.741 178.862 176.117 0.007 0.000 1.100 114 I CA 1.093 62.400 61.300 0.011 0.000 1.374 114 I CB -0.547 37.457 38.000 0.007 0.000 1.057 114 I HN 0.384 nan 8.210 nan 0.000 0.413 115 A N 0.130 122.948 122.820 -0.003 0.000 2.131 115 A HA -0.224 4.096 4.320 0.000 0.000 0.220 115 A C 2.126 179.711 177.584 0.002 0.000 1.158 115 A CA 1.296 53.331 52.037 -0.004 0.000 0.665 115 A CB -0.375 18.618 19.000 -0.011 0.000 0.795 115 A HN 0.429 nan 8.150 nan 0.000 0.460 116 Q N -1.288 118.515 119.800 0.005 0.000 2.369 116 Q HA 0.060 4.400 4.340 0.000 0.000 0.206 116 Q C 1.276 177.286 176.000 0.017 0.000 0.963 116 Q CA 0.912 56.721 55.803 0.010 0.000 0.894 116 Q CB -0.557 28.185 28.738 0.006 0.000 0.965 116 Q HN 1.128 nan 8.270 nan 0.000 0.475 117 G N 0.217 109.032 108.800 0.024 0.000 2.248 117 G HA2 -0.151 3.809 3.960 0.000 0.000 0.252 117 G HA3 -0.151 3.809 3.960 0.000 0.000 0.252 117 G C 0.393 175.329 174.900 0.060 0.000 1.085 117 G CA 0.373 45.493 45.100 0.033 0.000 0.845 117 G HN 0.529 nan 8.290 nan 0.000 0.494 118 A N -1.014 121.855 122.820 0.080 0.000 2.661 118 A HA 0.716 5.036 4.320 0.000 0.000 0.278 118 A C 1.588 179.296 177.584 0.208 0.000 1.090 118 A CA 1.364 53.477 52.037 0.126 0.000 0.969 118 A CB 0.241 19.274 19.000 0.056 0.000 1.240 118 A HN 0.827 nan 8.150 nan 0.000 0.578 119 S N -1.026 114.792 115.700 0.195 0.000 2.511 119 S HA 0.368 4.838 4.470 0.000 0.000 0.214 119 S C 1.521 176.306 174.600 0.309 0.000 0.997 119 S CA 0.678 59.022 58.200 0.240 0.000 0.908 119 S CB 0.437 63.708 63.200 0.118 0.000 0.803 119 S HN 1.694 nan 8.310 nan 0.000 0.504 120 G N 1.943 110.843 108.800 0.167 0.000 2.155 120 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 120 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 120 G C 0.221 175.106 174.900 -0.025 0.000 0.983 120 G CA 0.047 45.125 45.100 -0.037 0.000 0.676 120 G HN 0.899 nan 8.290 nan 0.000 0.528 121 A N 0.388 123.216 122.820 0.013 0.000 2.511 121 A HA 0.624 4.944 4.320 0.000 0.000 0.242 121 A C 1.143 178.685 177.584 -0.070 0.000 1.069 121 A CA 0.987 53.015 52.037 -0.014 0.000 0.763 121 A CB 0.218 19.218 19.000 -0.001 0.000 1.001 121 A HN 2.005 nan 8.150 nan 0.000 0.498 122 S N 1.757 117.381 115.700 -0.126 0.000 2.614 122 S HA 0.186 4.656 4.470 0.000 0.000 0.265 122 S C 0.703 175.198 174.600 -0.174 0.000 1.303 122 S CA 0.091 58.145 58.200 -0.242 0.000 1.000 122 S CB 0.671 63.537 63.200 -0.556 0.000 0.935 122 S HN 0.713 nan 8.310 nan 0.000 0.551 123 E N 1.313 121.407 120.200 -0.175 0.000 2.118 123 E HA -0.093 4.257 4.350 0.000 0.000 0.195 123 E C 2.116 178.663 176.600 -0.087 0.000 0.992 123 E CA 1.122 57.459 56.400 -0.105 0.000 0.804 123 E CB -0.699 28.951 29.700 -0.084 0.000 0.741 123 E HN 0.891 nan 8.360 nan 0.000 0.458 124 G N 0.537 109.269 108.800 -0.114 0.000 2.402 124 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 124 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 124 G C 1.635 176.510 174.900 -0.041 0.000 1.162 124 G CA 1.188 46.253 45.100 -0.060 0.000 0.777 124 G HN 0.174 nan 8.290 nan 0.000 0.539 125 T N 1.412 115.931 114.554 -0.058 0.000 2.708 125 T HA -0.056 4.294 4.350 0.000 0.000 0.266 125 T C 2.385 177.071 174.700 -0.025 0.000 1.037 125 T CA 0.999 63.081 62.100 -0.030 0.000 1.146 125 T CB -0.167 68.683 68.868 -0.031 0.000 0.865 125 T HN 0.240 nan 8.240 nan 0.000 0.435 126 I N 1.289 121.837 120.570 -0.036 0.000 2.286 126 I HA -0.171 3.999 4.170 0.000 0.000 0.248 126 I C 2.894 178.998 176.117 -0.022 0.000 1.115 126 I CA 1.019 62.302 61.300 -0.028 0.000 1.392 126 I CB -0.467 37.514 38.000 -0.032 0.000 1.065 126 I HN 0.193 nan 8.210 nan 0.000 0.418 127 A N 0.800 123.606 122.820 -0.024 0.000 1.933 127 A HA -0.178 4.142 4.320 0.000 0.000 0.218 127 A C 2.343 179.922 177.584 -0.009 0.000 1.175 127 A CA 1.256 53.283 52.037 -0.017 0.000 0.628 127 A CB -0.391 18.599 19.000 -0.017 0.000 0.814 127 A HN 0.238 nan 8.150 nan 0.000 0.444 128 R N -0.177 120.321 120.500 -0.003 0.000 2.096 128 R HA -0.059 4.281 4.340 0.000 0.000 0.235 128 R C 2.037 178.343 176.300 0.010 0.000 1.127 128 R CA 1.261 57.367 56.100 0.010 0.000 0.968 128 R CB -1.049 29.262 30.300 0.019 0.000 0.861 128 R HN 0.607 nan 8.270 nan 0.000 0.440 129 L N 0.069 121.291 121.223 -0.001 0.000 2.027 129 L HA -0.086 4.254 4.340 0.000 0.000 0.206 129 L C 2.498 179.358 176.870 -0.017 0.000 1.074 129 L CA 1.070 55.904 54.840 -0.009 0.000 0.745 129 L CB -0.446 41.602 42.059 -0.017 0.000 0.898 129 L HN 0.071 nan 8.230 nan 0.000 0.433 130 I N -0.021 120.538 120.570 -0.018 0.000 2.226 130 I HA -0.292 3.878 4.170 0.000 0.000 0.245 130 I C 2.136 178.242 176.117 -0.018 0.000 1.100 130 I CA 1.209 62.496 61.300 -0.021 0.000 1.374 130 I CB -0.406 37.583 38.000 -0.019 0.000 1.057 130 I HN 0.284 nan 8.210 nan 0.000 0.413 131 D N 0.773 121.166 120.400 -0.011 0.000 2.117 131 D HA -0.174 4.466 4.640 0.000 0.000 0.197 131 D C 2.155 178.449 176.300 -0.010 0.000 0.987 131 D CA 0.939 54.933 54.000 -0.010 0.000 0.829 131 D CB -0.348 40.447 40.800 -0.008 0.000 0.961 131 D HN 0.165 nan 8.370 nan 0.000 0.460 132 L N 0.955 122.177 121.223 -0.001 0.000 1.989 132 L HA -0.155 4.185 4.340 0.000 0.000 0.211 132 L C 2.204 179.058 176.870 -0.027 0.000 1.071 132 L CA 1.437 56.281 54.840 0.007 0.000 0.749 132 L CB -0.938 41.142 42.059 0.035 0.000 0.890 132 L HN 0.087 nan 8.230 nan 0.000 0.431 133 L N 0.123 121.318 121.223 -0.047 0.000 2.131 133 L HA -0.215 4.125 4.340 0.000 0.000 0.210 133 L C 1.946 178.788 176.870 -0.046 0.000 1.092 133 L CA 0.974 55.769 54.840 -0.077 0.000 0.759 133 L CB -0.585 41.428 42.059 -0.076 0.000 0.903 133 L HN 0.386 nan 8.230 nan 0.000 0.435 134 N N -0.470 118.218 118.700 -0.021 0.000 2.412 134 N HA -0.017 4.723 4.740 0.000 0.000 0.184 134 N C 0.927 176.448 175.510 0.018 0.000 1.101 134 N CA 0.395 53.444 53.050 -0.002 0.000 0.881 134 N CB 0.148 38.632 38.487 -0.004 0.000 0.969 134 N HN 0.345 nan 8.380 nan 0.000 0.459 135 S N -0.002 115.709 115.700 0.019 0.000 2.671 135 S HA 0.277 4.747 4.470 0.000 0.000 0.272 135 S C 0.787 175.459 174.600 0.120 0.000 1.174 135 S CA -0.430 57.794 58.200 0.041 0.000 1.004 135 S CB 1.462 64.667 63.200 0.009 0.000 1.077 135 S HN -0.075 nan 8.310 nan 0.000 0.553 136 E N -0.028 120.266 120.200 0.157 0.000 2.463 136 E HA 0.349 4.699 4.350 0.000 0.000 0.193 136 E C -0.116 176.779 176.600 0.490 0.000 1.041 136 E CA -0.003 56.578 56.400 0.303 0.000 0.879 136 E CB -0.097 29.686 29.700 0.138 0.000 0.997 136 E HN 0.507 nan 8.360 nan 0.000 0.478 137 L N -0.170 121.255 121.223 0.337 0.000 2.331 137 L HA 0.754 5.094 4.340 0.000 0.000 0.268 137 L C -0.023 176.973 176.870 0.210 0.000 1.015 137 L CA -1.068 54.000 54.840 0.381 0.000 0.807 137 L CB 1.518 43.665 42.059 0.146 0.000 1.293 137 L HN -0.179 nan 8.230 nan 0.000 0.451 138 A N 0.802 123.766 122.820 0.239 0.000 2.549 138 A HA 0.791 5.111 4.320 0.000 0.000 0.297 138 A C -2.821 174.859 177.584 0.160 0.000 1.061 138 A CA -1.352 50.682 52.037 -0.004 0.000 0.690 138 A CB 1.864 20.648 19.000 -0.359 0.000 1.287 138 A HN 0.367 nan 8.150 nan 0.000 0.402 139 P HA 0.373 nan 4.420 nan 0.000 0.275 139 P C -0.310 176.910 177.300 -0.134 0.000 1.228 139 P CA 0.113 63.087 63.100 -0.209 0.000 0.786 139 P CB 1.298 32.871 31.700 -0.212 0.000 0.927 140 A N 3.625 126.340 122.820 -0.176 0.000 2.391 140 A HA 0.482 4.802 4.320 0.000 0.000 0.316 140 A C 0.287 177.804 177.584 -0.112 0.000 1.381 140 A CA -0.469 51.515 52.037 -0.087 0.000 0.998 140 A CB -0.545 18.422 19.000 -0.055 0.000 1.147 140 A HN 0.446 nan 8.150 nan 0.000 0.545 141 V N 1.042 120.893 119.914 -0.104 0.000 2.604 141 V HA 0.756 4.876 4.120 0.000 0.000 0.305 141 V C -2.750 173.235 176.094 -0.183 0.000 1.043 141 V CA -2.624 59.586 62.300 -0.149 0.000 0.888 141 V CB 1.788 33.556 31.823 -0.092 0.000 0.995 141 V HN 0.636 nan 8.190 nan 0.000 0.429 142 P HA 0.123 nan 4.420 nan 0.000 0.268 142 P C 0.787 177.995 177.300 -0.153 0.000 1.205 142 P CA 0.346 63.301 63.100 -0.242 0.000 0.771 142 P CB 1.373 32.859 31.700 -0.356 0.000 0.858 143 S N 2.596 118.243 115.700 -0.089 0.000 2.470 143 S HA 0.024 4.494 4.470 0.000 0.000 0.225 143 S C 0.852 175.429 174.600 -0.038 0.000 1.006 143 S CA 0.077 58.247 58.200 -0.050 0.000 0.934 143 S CB -0.098 63.087 63.200 -0.026 0.000 0.778 143 S HN 0.412 nan 8.310 nan 0.000 0.517 144 R N -0.194 120.279 120.500 -0.044 0.000 2.720 144 R HA 0.633 4.973 4.340 0.000 0.000 0.272 144 R C 0.774 177.062 176.300 -0.020 0.000 0.991 144 R CA -0.078 56.007 56.100 -0.024 0.000 1.010 144 R CB 1.395 31.684 30.300 -0.018 0.000 1.141 144 R HN 0.321 nan 8.270 nan 0.000 0.494 145 G N 0.093 108.892 108.800 -0.001 0.000 2.551 145 G HA2 -0.214 3.746 3.960 0.000 0.000 0.186 145 G HA3 -0.214 3.746 3.960 0.000 0.000 0.186 145 G C 0.056 174.965 174.900 0.016 0.000 1.002 145 G CA -0.015 45.092 45.100 0.012 0.000 0.723 145 G HN 0.617 nan 8.290 nan 0.000 0.481 146 T N 0.454 115.015 114.554 0.011 0.000 2.895 146 T HA 0.548 4.898 4.350 0.000 0.000 0.283 146 T C 1.341 176.051 174.700 0.017 0.000 1.014 146 T CA 0.426 62.532 62.100 0.011 0.000 1.037 146 T CB 1.711 70.583 68.868 0.006 0.000 1.006 146 T HN 1.161 nan 8.240 nan 0.000 0.468 147 V N 1.223 121.148 119.914 0.019 0.000 3.444 147 V HA 0.619 4.739 4.120 0.000 0.000 0.308 147 V C 1.148 177.265 176.094 0.039 0.000 1.371 147 V CA 0.224 62.542 62.300 0.031 0.000 1.141 147 V CB -1.260 30.582 31.823 0.032 0.000 1.037 147 V HN 1.382 nan 8.190 nan 0.000 0.433 153 L N -0.302 120.886 121.223 -0.059 0.000 2.012 153 L HA -0.147 4.193 4.340 0.000 0.000 0.210 153 L C 2.368 179.190 176.870 -0.079 0.000 1.073 153 L CA 1.485 56.271 54.840 -0.090 0.000 0.748 153 L CB -0.676 41.306 42.059 -0.129 0.000 0.891 153 L HN 0.102 nan 8.230 nan 0.000 0.431 154 T N 0.537 115.066 114.554 -0.042 0.000 2.622 154 T HA -0.107 4.243 4.350 0.000 0.000 0.266 154 T C -0.424 174.346 174.700 0.118 0.000 1.047 154 T CA 1.902 64.012 62.100 0.017 0.000 1.159 154 T CB -1.243 67.656 68.868 0.051 0.000 0.863 154 T HN 0.316 nan 8.240 nan 0.000 0.422 155 P HA 0.005 nan 4.420 nan 0.000 0.218 155 P C 1.551 178.880 177.300 0.048 0.000 1.149 155 P CA 1.008 64.148 63.100 0.068 0.000 0.817 155 P CB -0.225 31.476 31.700 0.003 0.000 0.785 156 L N -0.796 120.428 121.223 0.002 0.000 2.156 156 L HA -0.042 4.298 4.340 0.000 0.000 0.208 156 L C 2.772 179.613 176.870 -0.049 0.000 1.095 156 L CA 1.158 55.982 54.840 -0.026 0.000 0.770 156 L CB -0.958 41.078 42.059 -0.039 0.000 0.914 156 L HN -0.059 nan 8.230 nan 0.000 0.439 157 A N -0.816 121.956 122.820 -0.079 0.000 1.898 157 A HA -0.218 4.102 4.320 0.000 0.000 0.216 157 A C 2.117 179.604 177.584 -0.162 0.000 1.181 157 A CA 1.258 53.199 52.037 -0.161 0.000 0.620 157 A CB -0.713 18.137 19.000 -0.251 0.000 0.819 157 A HN 0.401 nan 8.150 nan 0.000 0.442 158 H N -1.189 117.827 119.070 -0.089 0.000 2.387 158 H HA -0.099 4.457 4.556 0.000 0.000 0.299 158 H C 2.102 177.362 175.328 -0.112 0.000 1.090 158 H CA 1.731 57.725 56.048 -0.090 0.000 1.332 158 H CB -0.255 29.456 29.762 -0.085 0.000 1.386 158 H HN 0.594 nan 8.280 nan 0.000 0.516 159 M N 0.740 120.345 119.600 0.009 0.000 2.117 159 M HA -0.150 4.330 4.480 0.000 0.000 0.262 159 M C 2.066 178.326 176.300 -0.068 0.000 1.065 159 M CA 1.305 56.572 55.300 -0.055 0.000 1.114 159 M CB -0.098 32.475 32.600 -0.045 0.000 1.361 159 M HN -0.003 nan 8.290 nan 0.000 0.408 160 V N 1.304 121.182 119.914 -0.060 0.000 2.295 160 V HA -0.303 3.817 4.120 0.000 0.000 0.246 160 V C 2.453 178.517 176.094 -0.050 0.000 1.049 160 V CA 1.821 64.089 62.300 -0.053 0.000 1.024 160 V CB -0.809 30.972 31.823 -0.069 0.000 0.648 160 V HN 0.545 nan 8.190 nan 0.000 0.447 161 L N -0.831 120.352 121.223 -0.066 0.000 2.042 161 L HA -0.234 4.106 4.340 0.000 0.000 0.210 161 L C 2.665 179.497 176.870 -0.063 0.000 1.076 161 L CA 1.646 56.457 54.840 -0.049 0.000 0.749 161 L CB -0.773 41.253 42.059 -0.056 0.000 0.893 161 L HN 0.402 nan 8.230 nan 0.000 0.432 162 C N -0.124 119.091 119.300 -0.142 0.000 2.429 162 C HA -0.158 4.302 4.460 0.000 0.000 0.277 162 C C 2.673 177.559 174.990 -0.173 0.000 1.262 162 C CA 0.509 59.321 59.018 -0.343 0.000 1.733 162 C CB -0.830 26.561 27.740 -0.582 0.000 2.010 162 C HN 0.442 nan 8.230 nan 0.000 0.483 163 L N 0.205 121.412 121.223 -0.026 0.000 2.362 163 L HA -0.141 4.199 4.340 0.000 0.000 0.219 163 L C 2.337 179.288 176.870 0.134 0.000 1.134 163 L CA 1.208 56.133 54.840 0.141 0.000 0.807 163 L CB -0.624 41.480 42.059 0.076 0.000 0.927 163 L HN 0.526 nan 8.230 nan 0.000 0.447 164 Q N -0.380 119.468 119.800 0.079 0.000 2.360 164 Q HA 0.136 4.476 4.340 0.000 0.000 0.202 164 Q C 1.325 177.382 176.000 0.096 0.000 0.915 164 Q CA 0.486 56.332 55.803 0.071 0.000 0.943 164 Q CB 0.715 29.476 28.738 0.039 0.000 1.064 164 Q HN 0.537 nan 8.270 nan 0.000 0.511 165 G N 1.822 110.712 108.800 0.149 0.000 2.143 165 G HA2 -0.314 3.646 3.960 0.000 0.000 0.249 165 G HA3 -0.314 3.646 3.960 0.000 0.000 0.249 165 G C 0.580 175.545 174.900 0.109 0.000 0.981 165 G CA 0.104 45.312 45.100 0.181 0.000 0.665 165 G HN 0.319 nan 8.290 nan 0.000 0.528 166 R N 0.130 120.665 120.500 0.059 0.000 2.466 166 R HA 0.462 4.802 4.340 0.000 0.000 0.279 166 R C 1.020 177.321 176.300 0.003 0.000 0.976 166 R CA 0.524 56.644 56.100 0.033 0.000 1.081 166 R CB 0.722 31.040 30.300 0.031 0.000 1.215 166 R HN 0.516 nan 8.270 nan 0.000 0.546 167 G N -0.353 108.430 108.800 -0.028 0.000 2.704 167 G HA2 0.223 4.183 3.960 0.000 0.000 0.293 167 G HA3 0.223 4.183 3.960 0.000 0.000 0.293 167 G C -1.487 173.330 174.900 -0.140 0.000 1.421 167 G CA -0.676 44.375 45.100 -0.081 0.000 0.870 167 G HN -0.120 nan 8.290 nan 0.000 0.492 168 D N -0.494 119.842 120.400 -0.108 0.000 2.360 168 D HA 0.568 5.208 4.640 0.000 0.000 0.242 168 D C -0.472 175.703 176.300 -0.210 0.000 1.184 168 D CA 0.572 54.541 54.000 -0.050 0.000 0.930 168 D CB 0.860 41.663 40.800 0.005 0.000 1.161 168 D HN 0.099 nan 8.370 nan 0.000 0.447 169 F N -0.588 119.388 119.950 0.044 0.000 2.611 169 F HA 0.528 5.055 4.527 0.000 0.000 0.324 169 F C -0.219 175.629 175.800 0.081 0.000 1.061 169 F CA -0.903 57.132 58.000 0.057 0.000 0.954 169 F CB 1.206 40.240 39.000 0.057 0.000 1.301 169 F HN -0.064 nan 8.300 nan 0.000 0.482 170 L N 1.550 122.982 121.223 0.348 0.000 2.386 170 L HA 0.422 4.762 4.340 0.000 0.000 0.271 170 L C -1.022 176.068 176.870 0.367 0.000 0.993 170 L CA -1.054 53.964 54.840 0.297 0.000 0.819 170 L CB 1.858 44.096 42.059 0.298 0.000 1.294 170 L HN 0.597 nan 8.230 nan 0.000 0.414 171 D N 1.180 121.691 120.400 0.184 0.000 2.451 171 D HA 0.192 4.832 4.640 0.000 0.000 0.259 171 D C 0.852 176.995 176.300 -0.263 0.000 1.201 171 D CA -0.572 53.459 54.000 0.052 0.000 1.028 171 D CB 0.767 41.556 40.800 -0.019 0.000 1.095 171 D HN 0.306 nan 8.370 nan 0.000 0.539 172 R N -0.790 119.309 120.500 -0.667 0.000 2.170 172 R HA -0.099 4.241 4.340 0.000 0.000 0.242 172 R C 0.387 176.347 176.300 -0.566 0.000 1.145 172 R CA 1.324 56.702 56.100 -1.204 0.000 0.984 172 R CB -0.140 29.543 30.300 -1.028 0.000 0.869 172 R HN 0.515 nan 8.270 nan 0.000 0.455 173 D N -1.147 119.079 120.400 -0.290 0.000 2.328 173 D HA 0.078 4.718 4.640 0.000 0.000 0.221 173 D C 1.071 177.334 176.300 -0.062 0.000 1.072 173 D CA 0.789 54.701 54.000 -0.146 0.000 0.850 173 D CB 0.859 41.596 40.800 -0.104 0.000 0.922 173 D HN 0.425 nan 8.370 nan 0.000 0.516 174 G N 1.081 109.863 108.800 -0.029 0.000 2.179 174 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 174 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 174 G C 0.623 175.549 174.900 0.044 0.000 0.977 174 G CA 0.292 45.419 45.100 0.045 0.000 0.641 174 G HN 0.302 nan 8.290 nan 0.000 0.533 175 T N 2.117 116.684 114.554 0.023 0.000 2.888 175 T HA 0.432 4.782 4.350 0.000 0.000 0.301 175 T C 0.870 175.606 174.700 0.061 0.000 1.001 175 T CA 0.059 62.177 62.100 0.029 0.000 1.147 175 T CB 0.707 69.581 68.868 0.011 0.000 0.931 175 T HN 0.420 nan 8.240 nan 0.000 0.541 176 R N 2.519 123.055 120.500 0.059 0.000 2.410 176 R HA 0.585 4.925 4.340 0.000 0.000 0.288 176 R C -0.405 175.946 176.300 0.086 0.000 1.051 176 R CA -0.543 55.605 56.100 0.080 0.000 1.021 176 R CB 0.719 31.054 30.300 0.058 0.000 1.032 176 R HN 0.498 nan 8.270 nan 0.000 0.481 177 L N 1.740 123.039 121.223 0.128 0.000 2.370 177 L HA 0.351 4.691 4.340 0.000 0.000 0.266 177 L C -0.221 176.745 176.870 0.161 0.000 1.002 177 L CA -1.297 53.620 54.840 0.129 0.000 0.818 177 L CB 1.889 44.033 42.059 0.140 0.000 1.325 177 L HN 0.669 nan 8.230 nan 0.000 0.418 178 D N 0.827 121.303 120.400 0.127 0.000 2.398 178 D HA 0.119 4.759 4.640 0.000 0.000 0.247 178 D C 1.185 177.613 176.300 0.214 0.000 1.227 178 D CA -0.084 53.993 54.000 0.129 0.000 0.980 178 D CB 0.798 41.647 40.800 0.082 0.000 1.106 178 D HN 0.570 nan 8.370 nan 0.000 0.493 179 G N -0.298 108.621 108.800 0.197 0.000 2.491 179 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 179 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 179 G C 1.514 176.552 174.900 0.231 0.000 1.180 179 G CA 1.993 47.266 45.100 0.288 0.000 0.774 179 G HN 0.700 nan 8.290 nan 0.000 0.562 180 A N 0.715 123.610 122.820 0.125 0.000 1.883 180 A HA -0.103 4.217 4.320 0.000 0.000 0.217 180 A C 2.226 179.831 177.584 0.036 0.000 1.186 180 A CA 2.402 54.481 52.037 0.069 0.000 0.624 180 A CB -0.524 18.506 19.000 0.049 0.000 0.822 180 A HN 0.424 nan 8.150 nan 0.000 0.444 181 E N 0.059 120.286 120.200 0.045 0.000 2.153 181 E HA -0.034 4.316 4.350 0.000 0.000 0.194 181 E C 1.922 178.492 176.600 -0.051 0.000 0.988 181 E CA 1.481 57.888 56.400 0.011 0.000 0.811 181 E CB -0.778 28.942 29.700 0.033 0.000 0.746 181 E HN 0.421 nan 8.360 nan 0.000 0.466 182 G N 0.606 109.366 108.800 -0.067 0.000 2.404 182 G HA2 -0.202 3.758 3.960 0.000 0.000 0.215 182 G HA3 -0.202 3.758 3.960 0.000 0.000 0.215 182 G C 1.590 176.145 174.900 -0.575 0.000 1.174 182 G CA 0.820 45.646 45.100 -0.458 0.000 0.780 182 G HN 0.309 nan 8.290 nan 0.000 0.537 183 L N -0.209 120.803 121.223 -0.351 0.000 2.083 183 L HA -0.035 4.305 4.340 0.000 0.000 0.209 183 L C 2.931 179.714 176.870 -0.145 0.000 1.083 183 L CA 1.126 55.836 54.840 -0.217 0.000 0.752 183 L CB -0.383 41.643 42.059 -0.054 0.000 0.899 183 L HN 0.197 nan 8.230 nan 0.000 0.433 184 R N 0.518 120.956 120.500 -0.104 0.000 2.064 184 R HA -0.174 4.166 4.340 0.000 0.000 0.228 184 R C 2.538 178.792 176.300 -0.077 0.000 1.144 184 R CA 1.553 57.613 56.100 -0.067 0.000 0.932 184 R CB -0.207 30.069 30.300 -0.039 0.000 0.833 184 R HN 0.152 nan 8.270 nan 0.000 0.429 185 R N -0.469 119.978 120.500 -0.088 0.000 2.105 185 R HA -0.101 4.239 4.340 0.000 0.000 0.239 185 R C 1.813 178.061 176.300 -0.086 0.000 1.135 185 R CA 1.834 57.890 56.100 -0.074 0.000 0.967 185 R CB -0.440 29.822 30.300 -0.064 0.000 0.861 185 R HN 0.418 nan 8.270 nan 0.000 0.442 186 G N -0.417 108.297 108.800 -0.143 0.000 3.042 186 G HA2 -0.034 3.926 3.960 0.000 0.000 0.212 186 G HA3 -0.034 3.926 3.960 0.000 0.000 0.212 186 G C -0.217 174.625 174.900 -0.097 0.000 1.166 186 G CA -0.237 44.786 45.100 -0.129 0.000 0.767 186 G HN 0.343 nan 8.290 nan 0.000 0.546 187 R N -1.027 119.420 120.500 -0.087 0.000 3.205 187 R HA -0.142 4.198 4.340 0.000 0.000 0.249 187 R C -0.755 175.511 176.300 -0.057 0.000 0.937 187 R CA 0.273 56.338 56.100 -0.058 0.000 0.641 187 R CB -2.238 28.039 30.300 -0.038 0.000 1.114 187 R HN 0.336 nan 8.270 nan 0.000 0.451 188 L N 0.646 121.822 121.223 -0.077 0.000 2.334 188 L HA 0.393 4.733 4.340 0.000 0.000 0.276 188 L C 0.676 177.531 176.870 -0.026 0.000 1.014 188 L CA -1.123 53.683 54.840 -0.055 0.000 0.815 188 L CB 1.640 43.647 42.059 -0.087 0.000 1.268 188 L HN 0.014 nan 8.230 nan 0.000 0.428 189 Q N 3.005 122.803 119.800 -0.004 0.000 2.259 189 Q HA 0.351 4.692 4.340 0.000 0.000 0.246 189 Q C -2.276 173.742 176.000 0.029 0.000 0.920 189 Q CA -1.822 53.987 55.803 0.010 0.000 0.895 189 Q CB 1.215 29.959 28.738 0.011 0.000 1.220 189 Q HN 0.305 nan 8.270 nan 0.000 0.439 190 P HA 0.009 nan 4.420 nan 0.000 0.271 190 P C -0.289 177.039 177.300 0.048 0.000 1.216 190 P CA -0.508 62.624 63.100 0.053 0.000 0.771 190 P CB 0.554 32.282 31.700 0.047 0.000 0.864 191 L N 3.173 124.428 121.223 0.054 0.000 2.513 191 L HA 0.158 4.499 4.340 0.000 0.000 0.272 191 L C -0.132 176.760 176.870 0.037 0.000 1.187 191 L CA 0.535 55.401 54.840 0.042 0.000 0.895 191 L CB -0.648 41.433 42.059 0.038 0.000 1.147 191 L HN 0.309 nan 8.230 nan 0.000 0.483 192 D N 4.332 124.758 120.400 0.043 0.000 2.344 192 D HA 0.293 4.933 4.640 0.000 0.000 0.239 192 D C -0.164 176.178 176.300 0.069 0.000 1.064 192 D CA -0.240 53.791 54.000 0.051 0.000 0.829 192 D CB 0.866 41.703 40.800 0.061 0.000 1.129 192 D HN 0.629 nan 8.370 nan 0.000 0.506 193 L N 3.408 124.661 121.223 0.050 0.000 2.984 193 L HA 0.147 4.487 4.340 0.000 0.000 0.246 193 L C 1.745 178.650 176.870 0.058 0.000 1.268 193 L CA -0.198 54.677 54.840 0.059 0.000 1.054 193 L CB -0.140 41.933 42.059 0.023 0.000 1.393 193 L HN 0.450 nan 8.230 nan 0.000 0.532 194 S N -2.137 113.595 115.700 0.054 0.000 2.442 194 S HA -0.202 4.268 4.470 0.000 0.000 0.236 194 S C 1.407 175.942 174.600 -0.109 0.000 1.007 194 S CA 0.927 59.100 58.200 -0.045 0.000 0.965 194 S CB -0.427 62.708 63.200 -0.109 0.000 0.773 194 S HN 0.541 nan 8.310 nan 0.000 0.504 195 H N 1.475 120.540 119.070 -0.008 0.000 2.547 195 H HA 0.379 4.935 4.556 0.000 0.000 0.266 195 H C 0.510 175.831 175.328 -0.011 0.000 0.988 195 H CA 0.270 56.310 56.048 -0.014 0.000 1.147 195 H CB -0.144 29.607 29.762 -0.019 0.000 1.365 195 H HN 0.358 nan 8.280 nan 0.000 0.589 196 R N 0.923 121.472 120.500 0.081 0.000 3.531 196 R HA -0.136 4.204 4.340 0.000 0.000 0.280 196 R C -0.755 175.593 176.300 0.080 0.000 1.130 196 R CA 0.870 57.007 56.100 0.062 0.000 0.757 196 R CB -1.735 28.589 30.300 0.041 0.000 1.218 196 R HN 0.539 nan 8.270 nan 0.000 0.454 197 D N -1.166 119.285 120.400 0.086 0.000 2.615 197 D HA 0.241 4.881 4.640 0.000 0.000 0.236 197 D C 1.174 177.516 176.300 0.069 0.000 1.233 197 D CA 0.297 54.344 54.000 0.079 0.000 0.829 197 D CB 0.376 41.208 40.800 0.053 0.000 1.024 197 D HN 0.282 nan 8.370 nan 0.000 0.490 198 A N 0.382 123.239 122.820 0.062 0.000 1.972 198 A HA -0.095 4.225 4.320 0.000 0.000 0.219 198 A C 1.912 179.517 177.584 0.035 0.000 1.169 198 A CA 0.756 52.811 52.037 0.030 0.000 0.635 198 A CB -0.453 18.552 19.000 0.008 0.000 0.810 198 A HN 0.274 nan 8.150 nan 0.000 0.446 199 L N -0.596 120.678 121.223 0.085 0.000 2.456 199 L HA -0.044 4.296 4.340 0.000 0.000 0.224 199 L C 2.640 179.566 176.870 0.094 0.000 1.148 199 L CA 1.334 56.236 54.840 0.103 0.000 0.825 199 L CB -0.587 41.581 42.059 0.182 0.000 0.937 199 L HN 0.388 nan 8.230 nan 0.000 0.450 200 A N -1.336 121.537 122.820 0.089 0.000 2.123 200 A HA 0.073 4.393 4.320 0.000 0.000 0.214 200 A C 2.143 179.749 177.584 0.037 0.000 1.152 200 A CA 0.846 52.928 52.037 0.076 0.000 0.728 200 A CB -0.227 18.818 19.000 0.076 0.000 0.814 200 A HN 0.383 nan 8.150 nan 0.000 0.464 201 L N -1.021 120.214 121.223 0.020 0.000 2.316 201 L HA 0.114 4.454 4.340 0.000 0.000 0.207 201 L C 0.075 176.934 176.870 -0.019 0.000 1.070 201 L CA 0.317 55.155 54.840 -0.003 0.000 0.820 201 L CB 0.259 42.310 42.059 -0.013 0.000 0.992 201 L HN 0.055 nan 8.230 nan 0.000 0.466 202 V N 1.872 121.768 119.914 -0.029 0.000 2.218 202 V HA 0.370 4.490 4.120 0.000 0.000 0.261 202 V C -0.453 175.624 176.094 -0.029 0.000 1.142 202 V CA -0.238 62.027 62.300 -0.057 0.000 0.965 202 V CB -0.185 31.567 31.823 -0.119 0.000 1.190 202 V HN 0.324 nan 8.190 nan 0.000 0.478 203 N N 1.826 120.522 118.700 -0.008 0.000 3.185 203 N HA 0.527 5.267 4.740 0.000 0.000 0.238 203 N C 0.019 175.552 175.510 0.039 0.000 1.451 203 N CA 0.596 53.661 53.050 0.026 0.000 0.888 203 N CB 2.305 40.827 38.487 0.058 0.000 1.413 203 N HN 0.739 nan 8.380 nan 0.000 0.511 204 G N 0.020 108.874 108.800 0.090 0.000 2.645 204 G HA2 -0.246 3.714 3.960 0.000 0.000 0.246 204 G HA3 -0.246 3.714 3.960 0.000 0.000 0.246 204 G C 0.157 175.102 174.900 0.074 0.000 1.322 204 G CA 0.517 45.675 45.100 0.095 0.000 0.898 204 G HN 1.192 nan 8.290 nan 0.000 0.573 205 T N -3.181 111.404 114.554 0.051 0.000 3.275 205 T HA 0.598 4.948 4.350 0.000 0.000 0.265 205 T C 1.717 176.423 174.700 0.011 0.000 0.978 205 T CA 0.901 63.023 62.100 0.037 0.000 0.923 205 T CB 0.507 69.397 68.868 0.036 0.000 1.126 205 T HN 0.771 nan 8.240 nan 0.000 0.538 206 S N 1.660 117.362 115.700 0.004 0.000 2.359 206 S HA -0.055 4.415 4.470 0.000 0.000 0.224 206 S C 2.495 177.088 174.600 -0.013 0.000 1.035 206 S CA 1.300 59.494 58.200 -0.010 0.000 1.018 206 S CB -0.620 62.571 63.200 -0.015 0.000 0.876 206 S HN 0.838 nan 8.310 nan 0.000 0.448 207 A N 2.707 125.523 122.820 -0.008 0.000 1.858 207 A HA -0.129 4.192 4.320 0.000 0.000 0.216 207 A C 2.292 179.877 177.584 0.002 0.000 1.190 207 A CA 1.919 53.952 52.037 -0.007 0.000 0.617 207 A CB -0.859 18.137 19.000 -0.005 0.000 0.827 207 A HN 0.668 nan 8.150 nan 0.000 0.443 208 M N -1.381 118.225 119.600 0.010 0.000 2.159 208 M HA -0.099 4.381 4.480 0.000 0.000 0.263 208 M C 1.784 178.093 176.300 0.015 0.000 1.063 208 M CA 2.347 57.658 55.300 0.019 0.000 1.110 208 M CB -1.328 31.287 32.600 0.025 0.000 1.374 208 M HN 0.177 nan 8.290 nan 0.000 0.411 209 T N 1.078 115.632 114.554 -0.000 0.000 2.777 209 T HA 0.013 4.363 4.350 0.000 0.000 0.266 209 T C 1.985 176.683 174.700 -0.003 0.000 1.040 209 T CA 1.579 63.671 62.100 -0.014 0.000 1.141 209 T CB -0.769 68.082 68.868 -0.028 0.000 0.868 209 T HN 0.717 nan 8.240 nan 0.000 0.444 210 G N 1.429 110.226 108.800 -0.006 0.000 2.421 210 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 210 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 210 G C 1.521 176.433 174.900 0.021 0.000 1.171 210 G CA 0.521 45.616 45.100 -0.008 0.000 0.775 210 G HN 0.488 nan 8.290 nan 0.000 0.543 211 I N 1.432 122.020 120.570 0.030 0.000 2.226 211 I HA -0.169 4.001 4.170 0.000 0.000 0.245 211 I C 3.275 179.444 176.117 0.087 0.000 1.100 211 I CA 1.025 62.358 61.300 0.054 0.000 1.374 211 I CB -0.205 37.824 38.000 0.048 0.000 1.057 211 I HN 0.238 nan 8.210 nan 0.000 0.413 212 A N 1.286 124.161 122.820 0.091 0.000 1.933 212 A HA -0.171 4.149 4.320 0.000 0.000 0.218 212 A C 2.247 179.939 177.584 0.181 0.000 1.175 212 A CA 1.810 53.940 52.037 0.156 0.000 0.628 212 A CB -0.800 18.264 19.000 0.107 0.000 0.814 212 A HN 0.507 nan 8.150 nan 0.000 0.444 213 L N -1.864 119.427 121.223 0.114 0.000 2.141 213 L HA 0.009 4.349 4.340 0.000 0.000 0.209 213 L C 1.989 178.969 176.870 0.184 0.000 1.094 213 L CA 1.616 56.532 54.840 0.126 0.000 0.763 213 L CB -1.167 40.933 42.059 0.068 0.000 0.908 213 L HN 0.006 nan 8.230 nan 0.000 0.437 214 V N 0.889 120.910 119.914 0.178 0.000 2.453 214 V HA -0.180 3.940 4.120 0.000 0.000 0.247 214 V C 2.504 178.722 176.094 0.206 0.000 1.048 214 V CA 1.732 64.178 62.300 0.243 0.000 1.049 214 V CB -0.978 30.953 31.823 0.180 0.000 0.672 214 V HN 0.509 nan 8.190 nan 0.000 0.457 215 N N 0.864 119.659 118.700 0.158 0.000 2.104 215 N HA -0.144 4.596 4.740 0.000 0.000 0.190 215 N C 1.918 177.482 175.510 0.091 0.000 1.024 215 N CA 1.756 54.876 53.050 0.116 0.000 0.853 215 N CB -0.568 37.971 38.487 0.086 0.000 1.008 215 N HN 0.482 nan 8.380 nan 0.000 0.424 216 A N 0.274 123.173 122.820 0.132 0.000 1.908 216 A HA -0.214 4.106 4.320 0.000 0.000 0.218 216 A C 2.118 179.729 177.584 0.044 0.000 1.181 216 A CA 1.902 54.001 52.037 0.103 0.000 0.627 216 A CB -0.958 18.162 19.000 0.200 0.000 0.818 216 A HN 0.465 nan 8.150 nan 0.000 0.445 217 H N -0.176 118.869 119.070 -0.041 0.000 2.321 217 H HA 0.042 4.598 4.556 0.000 0.000 0.300 217 H C 2.214 177.466 175.328 -0.127 0.000 1.087 217 H CA 1.974 57.912 56.048 -0.183 0.000 1.319 217 H CB -0.254 29.254 29.762 -0.424 0.000 1.379 217 H HN 0.394 nan 8.280 nan 0.000 0.501 218 A N -0.356 122.490 122.820 0.043 0.000 1.902 218 A HA -0.188 4.132 4.320 0.000 0.000 0.217 218 A C 2.720 180.292 177.584 -0.019 0.000 1.181 218 A CA 1.512 53.578 52.037 0.048 0.000 0.623 218 A CB -1.232 17.830 19.000 0.103 0.000 0.818 218 A HN 0.650 nan 8.150 nan 0.000 0.443 219 C N -1.333 117.972 119.300 0.009 0.000 2.422 219 C HA -0.036 4.424 4.460 0.000 0.000 0.279 219 C C 2.789 177.762 174.990 -0.029 0.000 1.305 219 C CA 1.134 60.199 59.018 0.078 0.000 1.757 219 C CB -1.310 26.510 27.740 0.132 0.000 1.962 219 C HN 0.733 nan 8.230 nan 0.000 0.499 220 R N -0.112 120.275 120.500 -0.188 0.000 2.073 220 R HA -0.138 4.202 4.340 0.000 0.000 0.234 220 R C 2.246 178.345 176.300 -0.335 0.000 1.134 220 R CA 1.589 57.498 56.100 -0.319 0.000 0.952 220 R CB -0.418 29.596 30.300 -0.478 0.000 0.850 220 R HN 0.610 nan 8.270 nan 0.000 0.433 221 H N 0.530 119.467 119.070 -0.222 0.000 2.326 221 H HA -0.084 4.472 4.556 0.000 0.000 0.301 221 H C 2.197 177.511 175.328 -0.024 0.000 1.081 221 H CA 1.622 57.588 56.048 -0.136 0.000 1.334 221 H CB -0.219 29.467 29.762 -0.126 0.000 1.385 221 H HN 0.243 nan 8.280 nan 0.000 0.504 222 L N -0.156 121.036 121.223 -0.052 0.000 2.131 222 L HA -0.091 4.249 4.340 0.000 0.000 0.210 222 L C 2.730 179.451 176.870 -0.248 0.000 1.092 222 L CA 1.082 55.706 54.840 -0.360 0.000 0.759 222 L CB -0.771 40.667 42.059 -1.035 0.000 0.903 222 L HN 0.301 nan 8.230 nan 0.000 0.435 223 G N -0.217 108.572 108.800 -0.019 0.000 2.408 223 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 223 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 223 G C 1.407 176.400 174.900 0.157 0.000 1.150 223 G CA 0.430 45.701 45.100 0.285 0.000 0.776 223 G HN 0.310 nan 8.290 nan 0.000 0.542 224 N N 0.032 118.716 118.700 -0.026 0.000 2.188 224 N HA -0.077 4.663 4.740 0.000 0.000 0.184 224 N C 1.828 177.254 175.510 -0.140 0.000 1.018 224 N CA 0.772 53.747 53.050 -0.125 0.000 0.858 224 N CB -0.299 38.051 38.487 -0.228 0.000 0.989 224 N HN 0.573 nan 8.380 nan 0.000 0.426 225 W N 1.580 122.836 121.300 -0.073 0.000 2.418 225 W HA 0.080 4.740 4.660 0.000 0.000 0.292 225 W C 2.474 178.972 176.519 -0.035 0.000 1.213 225 W CA 1.036 58.335 57.345 -0.078 0.000 1.283 225 W CB -0.345 29.024 29.460 -0.152 0.000 1.119 225 W HN 0.022 nan 8.180 nan 0.000 0.542 226 A N -0.190 122.761 122.820 0.219 0.000 1.933 226 A HA -0.164 4.156 4.320 0.000 0.000 0.218 226 A C 1.979 179.654 177.584 0.151 0.000 1.175 226 A CA 2.073 54.250 52.037 0.234 0.000 0.628 226 A CB -1.049 18.183 19.000 0.387 0.000 0.814 226 A HN 0.096 nan 8.150 nan 0.000 0.444 227 V N -0.351 119.636 119.914 0.122 0.000 2.323 227 V HA -0.184 3.936 4.120 0.000 0.000 0.244 227 V C 3.058 179.137 176.094 -0.026 0.000 1.041 227 V CA 1.838 64.153 62.300 0.025 0.000 1.025 227 V CB -1.169 30.675 31.823 0.033 0.000 0.656 227 V HN 0.599 nan 8.190 nan 0.000 0.451 228 A N -0.353 122.443 122.820 -0.039 0.000 1.933 228 A HA -0.135 4.185 4.320 0.000 0.000 0.218 228 A C 2.187 179.790 177.584 0.032 0.000 1.175 228 A CA 1.688 53.691 52.037 -0.056 0.000 0.628 228 A CB -0.489 18.396 19.000 -0.191 0.000 0.814 228 A HN 0.513 nan 8.150 nan 0.000 0.444 229 L N -1.137 120.144 121.223 0.098 0.000 2.179 229 L HA -0.090 4.250 4.340 0.000 0.000 0.208 229 L C 2.652 179.585 176.870 0.104 0.000 1.096 229 L CA 1.455 56.370 54.840 0.125 0.000 0.779 229 L CB -0.765 41.392 42.059 0.164 0.000 0.922 229 L HN 0.312 nan 8.230 nan 0.000 0.443 230 T N 0.127 114.732 114.554 0.086 0.000 2.777 230 T HA -0.129 4.221 4.350 0.000 0.000 0.266 230 T C 2.046 176.847 174.700 0.169 0.000 1.040 230 T CA 1.304 63.465 62.100 0.101 0.000 1.141 230 T CB -0.118 68.757 68.868 0.012 0.000 0.868 230 T HN 0.424 nan 8.240 nan 0.000 0.444 231 A N 1.254 124.135 122.820 0.102 0.000 1.902 231 A HA 0.001 4.321 4.320 0.000 0.000 0.217 231 A C 2.199 179.898 177.584 0.191 0.000 1.181 231 A CA 1.168 53.323 52.037 0.197 0.000 0.623 231 A CB -0.779 18.272 19.000 0.085 0.000 0.818 231 A HN 0.395 nan 8.150 nan 0.000 0.443 232 L N -0.788 120.508 121.223 0.122 0.000 2.141 232 L HA -0.058 4.282 4.340 0.000 0.000 0.209 232 L C 2.180 179.109 176.870 0.098 0.000 1.094 232 L CA 1.655 56.553 54.840 0.097 0.000 0.763 232 L CB -0.624 41.483 42.059 0.079 0.000 0.908 232 L HN 0.389 nan 8.230 nan 0.000 0.437 233 L N -0.232 121.061 121.223 0.116 0.000 2.046 233 L HA -0.084 4.256 4.340 0.000 0.000 0.208 233 L C 2.496 179.430 176.870 0.105 0.000 1.077 233 L CA 2.039 56.940 54.840 0.101 0.000 0.747 233 L CB -0.984 41.144 42.059 0.115 0.000 0.896 233 L HN 0.237 nan 8.230 nan 0.000 0.432 234 A N -0.744 122.174 122.820 0.163 0.000 1.940 234 A HA -0.223 4.097 4.320 0.000 0.000 0.219 234 A C 2.131 179.746 177.584 0.051 0.000 1.176 234 A CA 1.862 53.960 52.037 0.102 0.000 0.631 234 A CB -0.643 18.438 19.000 0.135 0.000 0.814 234 A HN 0.647 nan 8.150 nan 0.000 0.446 235 E N -1.167 119.078 120.200 0.075 0.000 2.274 235 E HA -0.117 4.233 4.350 0.000 0.000 0.194 235 E C 1.588 178.208 176.600 0.033 0.000 0.996 235 E CA 0.907 57.336 56.400 0.048 0.000 0.840 235 E CB -0.243 29.492 29.700 0.058 0.000 0.772 235 E HN 0.677 nan 8.360 nan 0.000 0.491 236 C N -0.005 119.317 119.300 0.036 0.000 2.634 236 C HA 0.170 4.630 4.460 0.000 0.000 0.268 236 C C 1.644 176.642 174.990 0.012 0.000 1.322 236 C CA 0.006 59.037 59.018 0.022 0.000 1.737 236 C CB -0.200 27.552 27.740 0.020 0.000 1.976 236 C HN 0.311 nan 8.230 nan 0.000 0.547 237 L N -0.118 121.113 121.223 0.013 0.000 3.202 237 L HA 0.283 4.623 4.340 0.000 0.000 0.278 237 L C 0.267 177.132 176.870 -0.009 0.000 1.268 237 L CA -0.113 54.729 54.840 0.003 0.000 1.034 237 L CB -0.272 41.792 42.059 0.008 0.000 1.407 237 L HN 0.211 nan 8.230 nan 0.000 0.581 238 R N 0.494 120.988 120.500 -0.010 0.000 3.333 238 R HA -0.160 4.180 4.340 0.000 0.000 0.256 238 R C 0.700 176.971 176.300 -0.049 0.000 1.010 238 R CA 0.441 56.528 56.100 -0.022 0.000 0.680 238 R CB -1.965 28.325 30.300 -0.018 0.000 1.102 238 R HN 0.503 nan 8.270 nan 0.000 0.440 239 G N 0.668 109.427 108.800 -0.069 0.000 2.544 239 G HA2 0.198 4.158 3.960 0.000 0.000 0.242 239 G HA3 0.198 4.158 3.960 0.000 0.000 0.242 239 G C -0.004 174.761 174.900 -0.226 0.000 1.247 239 G CA -0.599 44.415 45.100 -0.142 0.000 0.840 239 G HN 0.248 nan 8.290 nan 0.000 0.578 240 R N 0.661 120.995 120.500 -0.276 0.000 2.202 240 R HA 0.227 4.567 4.340 0.000 0.000 0.334 240 R C 1.598 177.594 176.300 -0.507 0.000 1.036 240 R CA 0.213 56.144 56.100 -0.282 0.000 0.878 240 R CB 0.855 31.046 30.300 -0.181 0.000 1.067 240 R HN 0.711 nan 8.270 nan 0.000 0.457 241 T N -1.091 113.210 114.554 -0.423 0.000 3.055 241 T HA -0.137 4.213 4.350 0.000 0.000 0.265 241 T C 1.426 175.971 174.700 -0.259 0.000 1.111 241 T CA 0.907 62.732 62.100 -0.458 0.000 1.118 241 T CB -0.034 68.722 68.868 -0.186 0.000 0.909 241 T HN 0.735 nan 8.240 nan 0.000 0.501 242 E N 1.912 122.003 120.200 -0.180 0.000 2.204 242 E HA -0.053 4.297 4.350 0.000 0.000 0.195 242 E C 2.228 178.794 176.600 -0.057 0.000 0.990 242 E CA 0.971 57.322 56.400 -0.082 0.000 0.821 242 E CB -0.597 29.070 29.700 -0.055 0.000 0.750 242 E HN 0.613 nan 8.360 nan 0.000 0.477 243 A N 0.782 123.515 122.820 -0.145 0.000 2.121 243 A HA -0.090 4.230 4.320 0.000 0.000 0.218 243 A C 0.921 178.626 177.584 0.202 0.000 1.154 243 A CA 0.682 52.696 52.037 -0.037 0.000 0.679 243 A CB -0.581 18.352 19.000 -0.112 0.000 0.795 243 A HN 0.496 nan 8.150 nan 0.000 0.458 244 W N -0.304 120.997 121.300 0.002 0.000 3.223 244 W HA 0.616 5.276 4.660 0.000 0.000 0.389 244 W C 0.696 177.218 176.519 0.004 0.000 1.118 244 W CA -1.139 56.209 57.345 0.004 0.000 1.902 244 W CB -1.357 28.109 29.460 0.009 0.000 1.094 244 W HN 0.342 nan 8.180 nan 0.000 0.666 245 A N 0.802 123.731 122.820 0.181 0.000 2.462 245 A HA 0.465 4.785 4.320 0.000 0.000 0.243 245 A C 1.664 179.301 177.584 0.088 0.000 1.076 245 A CA 0.660 52.761 52.037 0.106 0.000 0.773 245 A CB 0.642 19.677 19.000 0.057 0.000 1.010 245 A HN 0.260 nan 8.150 nan 0.000 0.493 246 A N 2.634 125.495 122.820 0.068 0.000 1.940 246 A HA 0.080 4.400 4.320 0.000 0.000 0.219 246 A C 2.373 179.979 177.584 0.037 0.000 1.176 246 A CA 2.359 54.425 52.037 0.049 0.000 0.631 246 A CB -0.987 18.035 19.000 0.037 0.000 0.814 246 A HN 1.770 nan 8.150 nan 0.000 0.446 247 A N -0.328 122.511 122.820 0.032 0.000 1.940 247 A HA -0.105 4.215 4.320 0.000 0.000 0.219 247 A C 2.146 179.743 177.584 0.022 0.000 1.176 247 A CA 1.591 53.641 52.037 0.022 0.000 0.631 247 A CB -0.560 18.451 19.000 0.017 0.000 0.814 247 A HN 0.503 nan 8.150 nan 0.000 0.446 248 L N -0.619 120.623 121.223 0.033 0.000 2.141 248 L HA -0.131 4.209 4.340 0.000 0.000 0.209 248 L C 2.804 179.691 176.870 0.029 0.000 1.094 248 L CA 1.299 56.158 54.840 0.032 0.000 0.763 248 L CB -0.339 41.748 42.059 0.048 0.000 0.908 248 L HN 0.347 nan 8.230 nan 0.000 0.437 249 S N -0.353 115.368 115.700 0.036 0.000 2.368 249 S HA -0.173 4.297 4.470 0.000 0.000 0.224 249 S C 1.483 176.090 174.600 0.011 0.000 1.029 249 S CA 1.236 59.454 58.200 0.031 0.000 0.988 249 S CB -0.268 62.954 63.200 0.037 0.000 0.838 249 S HN 0.439 nan 8.310 nan 0.000 0.462 250 D N 1.512 121.917 120.400 0.008 0.000 2.182 250 D HA -0.041 4.599 4.640 0.000 0.000 0.201 250 D C 1.719 178.009 176.300 -0.016 0.000 0.986 250 D CA 0.723 54.721 54.000 -0.004 0.000 0.847 250 D CB -0.264 40.536 40.800 0.000 0.000 0.942 250 D HN 0.335 nan 8.370 nan 0.000 0.467 251 L N -0.578 120.638 121.223 -0.012 0.000 2.240 251 L HA 0.017 4.357 4.340 0.000 0.000 0.211 251 L C 1.584 178.431 176.870 -0.037 0.000 1.106 251 L CA 0.511 55.339 54.840 -0.019 0.000 0.793 251 L CB 0.158 42.212 42.059 -0.009 0.000 0.927 251 L HN -0.172 nan 8.230 nan 0.000 0.446 252 R N 0.840 121.315 120.500 -0.041 0.000 2.644 252 R HA 0.192 4.532 4.340 0.000 0.000 0.271 252 R C -2.207 174.026 176.300 -0.112 0.000 1.687 252 R CA -1.394 54.658 56.100 -0.081 0.000 1.655 252 R CB 0.895 31.189 30.300 -0.011 0.000 1.285 252 R HN -0.145 nan 8.270 nan 0.000 0.643 253 P HA -0.080 nan 4.420 nan 0.000 0.297 253 P C -0.672 176.560 177.300 -0.113 0.000 1.544 253 P CA 0.229 63.265 63.100 -0.108 0.000 0.798 253 P CB -0.348 31.301 31.700 -0.086 0.000 1.757 254 H N 0.830 119.902 119.070 0.003 0.000 2.848 254 H HA 0.086 4.642 4.556 0.000 0.000 0.317 254 H C -1.314 174.027 175.328 0.022 0.000 1.046 254 H CA -1.457 54.595 56.048 0.007 0.000 1.470 254 H CB 0.486 30.247 29.762 -0.001 0.000 1.483 254 H HN 0.089 nan 8.280 nan 0.000 0.548 255 P HA -0.162 nan 4.420 nan 0.000 0.215 255 P C 1.662 179.037 177.300 0.126 0.000 1.157 255 P CA 1.728 64.892 63.100 0.106 0.000 0.874 255 P CB 0.087 31.843 31.700 0.093 0.000 0.790 256 G N -0.472 108.421 108.800 0.155 0.000 2.442 256 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 256 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 256 G C 1.677 176.682 174.900 0.174 0.000 1.141 256 G CA 0.763 45.990 45.100 0.212 0.000 0.763 256 G HN 0.330 nan 8.290 nan 0.000 0.554 257 Q N 0.099 119.965 119.800 0.109 0.000 2.046 257 Q HA -0.063 4.277 4.340 0.000 0.000 0.200 257 Q C 2.478 178.515 176.000 0.062 0.000 0.975 257 Q CA 1.536 57.375 55.803 0.059 0.000 0.836 257 Q CB -0.209 28.579 28.738 0.083 0.000 0.896 257 Q HN 0.505 nan 8.270 nan 0.000 0.428 258 K N 0.136 120.581 120.400 0.076 0.000 2.063 258 K HA -0.234 4.086 4.320 0.000 0.000 0.208 258 K C 1.662 178.295 176.600 0.054 0.000 1.048 258 K CA 1.884 58.204 56.287 0.055 0.000 0.928 258 K CB -0.170 32.359 32.500 0.048 0.000 0.713 258 K HN 0.199 nan 8.250 nan 0.000 0.442 259 D N -0.067 120.380 120.400 0.080 0.000 2.097 259 D HA -0.106 4.534 4.640 0.000 0.000 0.197 259 D C 1.726 178.083 176.300 0.095 0.000 0.984 259 D CA 1.564 55.609 54.000 0.076 0.000 0.826 259 D CB -0.094 40.758 40.800 0.088 0.000 0.973 259 D HN 0.322 nan 8.370 nan 0.000 0.460 260 A N 0.697 123.616 122.820 0.165 0.000 1.865 260 A HA -0.047 4.273 4.320 0.000 0.000 0.217 260 A C 2.425 179.971 177.584 -0.063 0.000 1.191 260 A CA 2.682 54.791 52.037 0.119 0.000 0.623 260 A CB -1.303 17.691 19.000 -0.011 0.000 0.826 260 A HN 0.334 nan 8.150 nan 0.000 0.444 261 A N -0.244 122.534 122.820 -0.069 0.000 1.883 261 A HA 0.103 4.423 4.320 0.000 0.000 0.217 261 A C 2.550 180.109 177.584 -0.041 0.000 1.186 261 A CA 2.459 54.442 52.037 -0.090 0.000 0.624 261 A CB -1.162 17.845 19.000 0.012 0.000 0.822 261 A HN 1.170 nan 8.150 nan 0.000 0.444 262 A N -0.311 122.507 122.820 -0.003 0.000 1.883 262 A HA -0.193 4.127 4.320 0.000 0.000 0.217 262 A C 2.242 179.819 177.584 -0.013 0.000 1.186 262 A CA 1.746 53.788 52.037 0.007 0.000 0.624 262 A CB -0.470 18.536 19.000 0.011 0.000 0.822 262 A HN 0.554 nan 8.150 nan 0.000 0.444 263 R N -0.696 119.784 120.500 -0.033 0.000 2.115 263 R HA 0.037 4.377 4.340 0.000 0.000 0.230 263 R C 2.023 178.273 176.300 -0.083 0.000 1.111 263 R CA 1.196 57.266 56.100 -0.050 0.000 0.976 263 R CB -0.413 29.863 30.300 -0.041 0.000 0.870 263 R HN 0.514 nan 8.270 nan 0.000 0.445 264 L N 0.082 121.206 121.223 -0.166 0.000 2.056 264 L HA -0.144 4.196 4.340 0.000 0.000 0.207 264 L C 2.504 179.358 176.870 -0.027 0.000 1.078 264 L CA 1.354 56.012 54.840 -0.303 0.000 0.749 264 L CB -0.300 41.224 42.059 -0.891 0.000 0.901 264 L HN 0.145 nan 8.230 nan 0.000 0.433 265 R N -0.126 120.416 120.500 0.070 0.000 2.081 265 R HA -0.146 4.194 4.340 0.000 0.000 0.235 265 R C 2.392 178.750 176.300 0.097 0.000 1.131 265 R CA 1.361 57.562 56.100 0.168 0.000 0.960 265 R CB -0.515 29.866 30.300 0.134 0.000 0.856 265 R HN 0.351 nan 8.270 nan 0.000 0.436 266 A N 1.326 124.172 122.820 0.042 0.000 1.902 266 A HA -0.143 4.177 4.320 0.000 0.000 0.217 266 A C 2.052 179.649 177.584 0.021 0.000 1.181 266 A CA 1.062 53.112 52.037 0.021 0.000 0.623 266 A CB -0.262 18.736 19.000 -0.004 0.000 0.818 266 A HN 0.098 nan 8.150 nan 0.000 0.443 267 R N -0.165 120.344 120.500 0.015 0.000 2.091 267 R HA -0.124 4.216 4.340 0.000 0.000 0.238 267 R C 1.952 178.285 176.300 0.055 0.000 1.136 267 R CA 1.783 57.892 56.100 0.015 0.000 0.959 267 R CB -1.383 28.915 30.300 -0.004 0.000 0.856 267 R HN 0.674 nan 8.270 nan 0.000 0.437 268 V N -0.841 119.138 119.914 0.108 0.000 3.633 268 V HA 0.100 4.220 4.120 0.000 0.000 0.283 268 V C 0.238 176.378 176.094 0.077 0.000 1.305 268 V CA -0.522 61.848 62.300 0.117 0.000 1.153 268 V CB -0.580 31.360 31.823 0.195 0.000 0.950 268 V HN -0.072 nan 8.190 nan 0.000 0.432 269 D N 1.463 121.899 120.400 0.060 0.000 2.493 269 D HA 0.404 5.044 4.640 0.000 0.000 0.240 269 D C 1.450 177.767 176.300 0.028 0.000 1.142 269 D CA 1.952 55.975 54.000 0.039 0.000 0.872 269 D CB 0.490 41.307 40.800 0.029 0.000 1.173 269 D HN 0.560 nan 8.370 nan 0.000 0.467 270 G N 2.394 111.206 108.800 0.021 0.000 2.195 270 G HA2 -0.265 3.695 3.960 0.000 0.000 0.246 270 G HA3 -0.265 3.695 3.960 0.000 0.000 0.246 270 G C 0.488 175.399 174.900 0.017 0.000 0.984 270 G CA 0.317 45.427 45.100 0.015 0.000 0.633 270 G HN 0.790 nan 8.290 nan 0.000 0.525 271 S N 0.206 115.921 115.700 0.024 0.000 2.564 271 S HA 0.640 5.110 4.470 0.000 0.000 0.278 271 S C 1.185 175.795 174.600 0.016 0.000 1.333 271 S CA 0.872 59.087 58.200 0.025 0.000 1.048 271 S CB 1.258 64.481 63.200 0.037 0.000 0.900 271 S HN 1.640 nan 8.310 nan 0.000 0.505 272 A N 5.167 127.997 122.820 0.016 0.000 2.538 272 A HA 0.360 4.680 4.320 0.000 0.000 0.269 272 A C 1.591 179.186 177.584 0.017 0.000 1.231 272 A CA -0.397 51.649 52.037 0.015 0.000 0.948 272 A CB 0.122 19.131 19.000 0.015 0.000 1.110 272 A HN 0.715 nan 8.150 nan 0.000 0.529 273 R N -0.218 120.292 120.500 0.017 0.000 2.282 273 R HA 0.127 4.467 4.340 0.000 0.000 0.195 273 R C 0.725 177.029 176.300 0.007 0.000 0.909 273 R CA 0.902 57.011 56.100 0.015 0.000 1.039 273 R CB -0.191 30.120 30.300 0.019 0.000 1.015 273 R HN 0.487 nan 8.270 nan 0.000 0.513 274 V N -1.050 118.864 119.914 0.001 0.000 2.997 274 V HA 0.439 4.559 4.120 0.000 0.000 0.311 274 V C 0.524 176.607 176.094 -0.019 0.000 1.066 274 V CA -0.918 61.365 62.300 -0.027 0.000 1.039 274 V CB 1.944 33.738 31.823 -0.048 0.000 1.081 274 V HN -0.265 nan 8.190 nan 0.000 0.467 275 V N 3.993 123.885 119.914 -0.036 0.000 2.364 275 V HA 0.432 4.552 4.120 0.000 0.000 0.272 275 V C 1.052 177.138 176.094 -0.013 0.000 1.036 275 V CA -0.235 62.080 62.300 0.025 0.000 0.880 275 V CB 0.684 32.517 31.823 0.017 0.000 0.991 275 V HN 0.933 nan 8.190 nan 0.000 0.460 276 R N 1.742 122.228 120.500 -0.023 0.000 2.362 276 R HA 0.189 4.529 4.340 0.000 0.000 0.227 276 R C -0.244 175.958 176.300 -0.163 0.000 0.905 276 R CA -0.192 55.830 56.100 -0.130 0.000 1.067 276 R CB 0.192 30.384 30.300 -0.182 0.000 1.078 276 R HN 0.741 nan 8.270 nan 0.000 0.516 277 H N 0.161 119.206 119.070 -0.043 0.000 2.722 277 H HA 0.096 4.652 4.556 0.000 0.000 0.328 277 H C -0.130 175.176 175.328 -0.037 0.000 1.067 277 H CA -0.247 55.781 56.048 -0.033 0.000 1.447 277 H CB 0.855 30.600 29.762 -0.028 0.000 1.469 277 H HN -0.216 nan 8.280 nan 0.000 0.544 278 V N 5.880 125.832 119.914 0.065 0.000 2.470 278 V HA -0.059 4.061 4.120 0.000 0.000 0.276 278 V C 1.925 178.044 176.094 0.041 0.000 1.040 278 V CA 0.087 62.405 62.300 0.030 0.000 1.008 278 V CB -0.244 31.587 31.823 0.013 0.000 0.990 278 V HN 0.849 nan 8.190 nan 0.000 0.477 279 I N 3.136 123.720 120.570 0.023 0.000 2.361 279 I HA -0.111 4.059 4.170 0.000 0.000 0.251 279 I C 2.066 178.189 176.117 0.010 0.000 1.133 279 I CA 1.870 63.178 61.300 0.014 0.000 1.413 279 I CB -0.259 37.742 38.000 0.001 0.000 1.073 279 I HN 0.565 nan 8.210 nan 0.000 0.424 280 A N 0.936 123.761 122.820 0.009 0.000 2.216 280 A HA -0.065 4.255 4.320 0.000 0.000 0.214 280 A C 2.103 179.693 177.584 0.009 0.000 1.160 280 A CA 0.920 52.961 52.037 0.007 0.000 0.725 280 A CB -0.492 18.511 19.000 0.006 0.000 0.784 280 A HN 0.496 nan 8.150 nan 0.000 0.472 281 E N 0.006 120.216 120.200 0.016 0.000 2.216 281 E HA -0.083 4.267 4.350 0.000 0.000 0.192 281 E C 1.082 177.690 176.600 0.014 0.000 0.988 281 E CA 0.165 56.576 56.400 0.018 0.000 0.834 281 E CB -0.165 29.554 29.700 0.031 0.000 0.772 281 E HN 0.610 nan 8.360 nan 0.000 0.479 282 R N 1.682 122.189 120.500 0.010 0.000 2.401 282 R HA 0.087 4.427 4.340 0.000 0.000 0.299 282 R C -0.362 175.937 176.300 -0.001 0.000 1.064 282 R CA -0.007 56.094 56.100 0.001 0.000 1.000 282 R CB 0.408 30.703 30.300 -0.008 0.000 0.973 282 R HN -0.138 nan 8.270 nan 0.000 0.438 283 R N 5.257 125.756 120.500 -0.002 0.000 2.255 283 R HA 0.280 4.620 4.340 0.000 0.000 0.326 283 R C -0.425 175.872 176.300 -0.005 0.000 0.986 283 R CA -0.542 55.557 56.100 -0.002 0.000 0.847 283 R CB 1.103 31.403 30.300 -0.001 0.000 1.111 283 R HN 0.466 nan 8.270 nan 0.000 0.452 284 L N 2.742 123.962 121.223 -0.005 0.000 2.399 284 L HA 0.343 4.683 4.340 0.000 0.000 0.266 284 L C 0.209 177.076 176.870 -0.005 0.000 1.114 284 L CA -0.446 54.390 54.840 -0.006 0.000 0.804 284 L CB 0.764 42.819 42.059 -0.006 0.000 1.146 284 L HN 0.673 nan 8.230 nan 0.000 0.451 285 D N 0.497 120.894 120.400 -0.006 0.000 2.566 285 D HA 0.426 5.066 4.640 0.000 0.000 0.254 285 D C 0.475 176.772 176.300 -0.005 0.000 1.090 285 D CA -0.314 53.683 54.000 -0.005 0.000 1.034 285 D CB 1.310 42.107 40.800 -0.005 0.000 1.434 285 D HN 0.424 nan 8.370 nan 0.000 0.509 286 A N 0.099 122.916 122.820 -0.005 0.000 1.958 286 A HA -0.026 4.294 4.320 0.000 0.000 0.221 286 A C 2.025 179.605 177.584 -0.006 0.000 1.178 286 A CA 2.388 54.422 52.037 -0.005 0.000 0.642 286 A CB -1.659 17.338 19.000 -0.004 0.000 0.816 286 A HN 0.729 nan 8.150 nan 0.000 0.453 287 G N -1.052 107.744 108.800 -0.006 0.000 2.509 287 G HA2 -0.126 3.834 3.960 0.000 0.000 0.218 287 G HA3 -0.126 3.834 3.960 0.000 0.000 0.218 287 G C 0.972 175.866 174.900 -0.008 0.000 1.124 287 G CA 1.016 46.112 45.100 -0.007 0.000 0.776 287 G HN 0.531 nan 8.290 nan 0.000 0.547 288 D N 0.262 120.657 120.400 -0.009 0.000 2.333 288 D HA 0.018 4.658 4.640 0.000 0.000 0.208 288 D C 0.919 177.213 176.300 -0.009 0.000 0.984 288 D CA -0.013 53.981 54.000 -0.010 0.000 0.873 288 D CB 0.419 41.212 40.800 -0.011 0.000 0.935 288 D HN 0.130 nan 8.370 nan 0.000 0.521 289 I N 1.570 122.135 120.570 -0.008 0.000 2.581 289 I HA 0.291 4.461 4.170 0.000 0.000 0.285 289 I C 1.338 177.450 176.117 -0.007 0.000 1.129 289 I CA 0.708 62.004 61.300 -0.007 0.000 1.397 289 I CB 0.025 38.021 38.000 -0.005 0.000 1.399 289 I HN -0.026 nan 8.210 nan 0.000 0.537 290 G N 5.428 114.224 108.800 -0.007 0.000 2.344 290 G HA2 0.181 4.141 3.960 0.000 0.000 0.282 290 G HA3 0.181 4.141 3.960 0.000 0.000 0.282 290 G C -1.186 173.709 174.900 -0.008 0.000 1.281 290 G CA -0.656 44.439 45.100 -0.008 0.000 0.877 290 G HN 0.369 nan 8.290 nan 0.000 0.494 291 T N 1.851 116.400 114.554 -0.009 0.000 2.749 291 T HA 0.569 4.919 4.350 0.000 0.000 0.287 291 T C -0.218 174.476 174.700 -0.011 0.000 0.970 291 T CA -0.241 61.853 62.100 -0.009 0.000 0.980 291 T CB 1.374 70.237 68.868 -0.009 0.000 0.924 291 T HN 0.439 nan 8.240 nan 0.000 0.456 292 E N 3.135 123.327 120.200 -0.013 0.000 2.283 292 E HA 0.215 4.565 4.350 0.000 0.000 0.267 292 E C -1.361 175.230 176.600 -0.015 0.000 1.045 292 E CA -2.095 54.296 56.400 -0.015 0.000 0.884 292 E CB 0.841 30.531 29.700 -0.017 0.000 1.106 292 E HN 0.324 nan 8.360 nan 0.000 0.408 293 P HA -0.163 nan 4.420 nan 0.000 0.216 293 P C -0.613 176.677 177.300 -0.017 0.000 1.150 293 P CA 1.479 64.569 63.100 -0.016 0.000 0.843 293 P CB 0.292 31.981 31.700 -0.018 0.000 0.787 294 E N -1.909 118.280 120.200 -0.018 0.000 2.393 294 E HA 0.607 4.957 4.350 0.000 0.000 0.273 294 E C -0.978 175.612 176.600 -0.016 0.000 0.918 294 E CA -1.149 55.241 56.400 -0.017 0.000 0.773 294 E CB 1.895 31.584 29.700 -0.019 0.000 1.275 294 E HN -0.104 nan 8.360 nan 0.000 0.451 295 A N 0.544 123.356 122.820 -0.013 0.000 2.346 295 A HA 0.437 4.757 4.320 0.000 0.000 0.252 295 A C 1.156 178.734 177.584 -0.010 0.000 1.089 295 A CA 0.362 52.394 52.037 -0.008 0.000 0.797 295 A CB 0.026 19.025 19.000 -0.003 0.000 1.047 295 A HN 0.782 nan 8.150 nan 0.000 0.494 296 G N -0.729 108.067 108.800 -0.007 0.000 2.920 296 G HA2 0.302 4.262 3.960 0.000 0.000 0.208 296 G HA3 0.302 4.262 3.960 0.000 0.000 0.208 296 G C 0.423 175.317 174.900 -0.010 0.000 1.159 296 G CA 0.272 45.365 45.100 -0.011 0.000 0.784 296 G HN 0.698 nan 8.290 nan 0.000 0.535 297 Q N 0.159 119.959 119.800 0.000 0.000 2.397 297 Q HA 0.292 4.632 4.340 0.000 0.000 0.275 297 Q C -1.420 174.590 176.000 0.017 0.000 1.090 297 Q CA -1.011 54.796 55.803 0.007 0.000 0.809 297 Q CB 2.127 30.885 28.738 0.033 0.000 1.362 297 Q HN 0.034 nan 8.270 nan 0.000 0.431 298 D N 0.746 121.154 120.400 0.013 0.000 2.377 298 D HA 0.347 4.987 4.640 0.000 0.000 0.245 298 D C -0.128 176.230 176.300 0.097 0.000 1.196 298 D CA -0.048 53.969 54.000 0.029 0.000 0.962 298 D CB 0.833 41.635 40.800 0.004 0.000 1.127 298 D HN 0.625 nan 8.370 nan 0.000 0.471 299 A N 0.486 123.356 122.820 0.083 0.000 2.386 299 A HA 0.001 4.321 4.320 0.000 0.000 0.246 299 A C 0.638 178.376 177.584 0.257 0.000 1.089 299 A CA -0.064 52.032 52.037 0.099 0.000 0.790 299 A CB -0.084 18.933 19.000 0.029 0.000 1.042 299 A HN 0.542 nan 8.150 nan 0.000 0.497 300 Y N 0.860 121.177 120.300 0.028 0.000 2.256 300 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 300 Y C 2.921 178.855 175.900 0.057 0.000 1.155 300 Y CA 1.544 59.667 58.100 0.039 0.000 1.203 300 Y CB -1.314 37.160 38.460 0.024 0.000 0.980 300 Y HN 0.738 nan 8.280 nan 0.000 0.530 301 S N -0.952 114.875 115.700 0.212 0.000 2.493 301 S HA -0.122 4.348 4.470 0.000 0.000 0.243 301 S C 1.805 176.510 174.600 0.176 0.000 0.991 301 S CA 1.166 59.457 58.200 0.152 0.000 0.957 301 S CB -0.560 62.704 63.200 0.107 0.000 0.756 301 S HN 0.450 nan 8.310 nan 0.000 0.521 302 L N -0.227 121.120 121.223 0.206 0.000 2.541 302 L HA 0.347 4.688 4.340 0.000 0.000 0.187 302 L C 2.741 179.825 176.870 0.358 0.000 1.098 302 L CA 0.236 55.248 54.840 0.287 0.000 0.846 302 L CB -0.291 41.875 42.059 0.179 0.000 1.151 302 L HN 0.155 nan 8.230 nan 0.000 0.492 303 R N 0.018 120.645 120.500 0.211 0.000 2.105 303 R HA -0.169 4.171 4.340 0.000 0.000 0.239 303 R C 1.586 177.985 176.300 0.165 0.000 1.135 303 R CA 1.973 58.169 56.100 0.160 0.000 0.967 303 R CB -0.250 30.106 30.300 0.093 0.000 0.861 303 R HN 0.412 nan 8.270 nan 0.000 0.442 304 C N 0.196 119.551 119.300 0.091 0.000 2.780 304 C HA 0.435 4.895 4.460 0.000 0.000 0.287 304 C C 2.160 177.162 174.990 0.021 0.000 1.288 304 C CA -0.391 58.620 59.018 -0.010 0.000 1.713 304 C CB -0.428 27.206 27.740 -0.175 0.000 1.955 304 C HN 0.626 nan 8.230 nan 0.000 0.613 305 A N 2.648 125.527 122.820 0.098 0.000 1.908 305 A HA -0.116 4.204 4.320 0.000 0.000 0.218 305 A C 0.009 177.512 177.584 -0.136 0.000 1.181 305 A CA 1.833 53.861 52.037 -0.014 0.000 0.627 305 A CB -1.536 17.460 19.000 -0.007 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.147 nan 4.420 nan 0.000 0.215 306 P C 1.287 178.512 177.300 -0.125 0.000 1.153 306 P CA 1.474 64.482 63.100 -0.153 0.000 0.853 306 P CB -0.039 31.620 31.700 -0.069 0.000 0.788 307 Q N -0.997 118.751 119.800 -0.086 0.000 2.083 307 Q HA -0.074 4.266 4.340 0.000 0.000 0.198 307 Q C 2.124 178.038 176.000 -0.143 0.000 0.969 307 Q CA 1.214 56.961 55.803 -0.094 0.000 0.838 307 Q CB -1.351 27.341 28.738 -0.076 0.000 0.900 307 Q HN 0.093 nan 8.270 nan 0.000 0.436 308 V N 0.235 120.061 119.914 -0.146 0.000 2.323 308 V HA -0.187 3.933 4.120 0.000 0.000 0.244 308 V C 2.061 177.997 176.094 -0.264 0.000 1.041 308 V CA 1.373 63.574 62.300 -0.166 0.000 1.025 308 V CB -0.528 31.227 31.823 -0.114 0.000 0.656 308 V HN 0.296 nan 8.190 nan 0.000 0.451 309 L N 0.506 121.522 121.223 -0.345 0.000 2.046 309 L HA -0.071 4.269 4.340 0.000 0.000 0.208 309 L C 2.693 179.020 176.870 -0.905 0.000 1.077 309 L CA 1.771 56.211 54.840 -0.667 0.000 0.747 309 L CB -1.248 40.406 42.059 -0.674 0.000 0.896 309 L HN 0.471 nan 8.230 nan 0.000 0.432 310 G N -0.227 108.269 108.800 -0.508 0.000 2.440 310 G HA2 -0.292 3.668 3.960 0.000 0.000 0.218 310 G HA3 -0.292 3.668 3.960 0.000 0.000 0.218 310 G C 1.763 176.556 174.900 -0.179 0.000 1.154 310 G CA 0.907 45.849 45.100 -0.263 0.000 0.767 310 G HN 0.477 nan 8.290 nan 0.000 0.552 311 A N 0.737 123.430 122.820 -0.213 0.000 1.933 311 A HA 0.180 4.500 4.320 0.000 0.000 0.218 311 A C 2.691 180.206 177.584 -0.117 0.000 1.175 311 A CA 2.041 53.973 52.037 -0.175 0.000 0.628 311 A CB -0.946 17.942 19.000 -0.187 0.000 0.814 311 A HN 0.531 nan 8.150 nan 0.000 0.444 312 G N -1.114 107.578 108.800 -0.180 0.000 2.402 312 G HA2 -0.101 3.859 3.960 0.000 0.000 0.216 312 G HA3 -0.101 3.859 3.960 0.000 0.000 0.216 312 G C 1.278 176.253 174.900 0.124 0.000 1.162 312 G CA 1.011 46.053 45.100 -0.096 0.000 0.777 312 G HN 0.380 nan 8.290 nan 0.000 0.539 313 F N 1.726 121.681 119.950 0.009 0.000 2.186 313 F HA 0.044 4.571 4.527 0.000 0.000 0.299 313 F C 2.290 178.116 175.800 0.044 0.000 1.090 313 F CA 0.367 58.385 58.000 0.029 0.000 1.307 313 F CB -0.612 38.398 39.000 0.018 0.000 1.019 313 F HN 0.115 nan 8.300 nan 0.000 0.489 314 D N -0.609 119.919 120.400 0.212 0.000 2.219 314 D HA -0.096 4.544 4.640 0.000 0.000 0.205 314 D C 2.192 178.601 176.300 0.182 0.000 0.970 314 D CA 1.348 55.441 54.000 0.154 0.000 0.851 314 D CB -0.346 40.494 40.800 0.067 0.000 0.943 314 D HN 0.206 nan 8.370 nan 0.000 0.488 315 T N 1.149 115.803 114.554 0.165 0.000 2.812 315 T HA -0.105 4.245 4.350 0.000 0.000 0.264 315 T C 1.897 176.765 174.700 0.281 0.000 1.042 315 T CA 0.332 62.568 62.100 0.227 0.000 1.140 315 T CB -0.190 68.762 68.868 0.141 0.000 0.870 315 T HN 0.038 nan 8.240 nan 0.000 0.445 316 L N 1.539 122.889 121.223 0.212 0.000 2.083 316 L HA 0.119 4.459 4.340 0.000 0.000 0.209 316 L C 2.550 179.545 176.870 0.207 0.000 1.083 316 L CA 1.644 56.588 54.840 0.174 0.000 0.752 316 L CB -1.006 41.141 42.059 0.147 0.000 0.899 316 L HN 0.217 nan 8.230 nan 0.000 0.433 317 A N -1.245 121.698 122.820 0.205 0.000 1.902 317 A HA -0.272 4.048 4.320 0.000 0.000 0.217 317 A C 2.124 179.849 177.584 0.235 0.000 1.181 317 A CA 1.691 53.837 52.037 0.181 0.000 0.623 317 A CB -1.401 17.696 19.000 0.163 0.000 0.818 317 A HN 0.730 nan 8.150 nan 0.000 0.443 318 W N 0.319 121.679 121.300 0.100 0.000 2.381 318 W HA -0.169 4.491 4.660 0.000 0.000 0.301 318 W C 2.237 178.822 176.519 0.110 0.000 1.205 318 W CA 1.847 59.245 57.345 0.089 0.000 1.285 318 W CB -0.700 28.807 29.460 0.077 0.000 1.133 318 W HN 0.625 nan 8.180 nan 0.000 0.521 319 H N 0.113 119.134 119.070 -0.081 0.000 2.319 319 H HA -0.168 4.388 4.556 0.000 0.000 0.299 319 H C 1.324 176.541 175.328 -0.185 0.000 1.092 319 H CA 2.362 58.255 56.048 -0.259 0.000 1.302 319 H CB -0.497 29.223 29.762 -0.069 0.000 1.373 319 H HN 0.056 nan 8.280 nan 0.000 0.497 320 D N 0.253 120.691 120.400 0.062 0.000 2.178 320 D HA -0.069 4.571 4.640 0.000 0.000 0.202 320 D C 2.573 178.836 176.300 -0.062 0.000 0.974 320 D CA 0.523 54.532 54.000 0.015 0.000 0.841 320 D CB -0.200 40.658 40.800 0.097 0.000 0.953 320 D HN 0.384 nan 8.370 nan 0.000 0.478 321 R N 0.260 120.731 120.500 -0.047 0.000 2.075 321 R HA -0.052 4.288 4.340 0.000 0.000 0.232 321 R C 2.295 178.533 176.300 -0.102 0.000 1.126 321 R CA 0.727 56.810 56.100 -0.029 0.000 0.963 321 R CB -0.342 29.988 30.300 0.050 0.000 0.858 321 R HN 0.103 nan 8.270 nan 0.000 0.435 322 V N 1.313 121.085 119.914 -0.237 0.000 2.358 322 V HA -0.207 3.913 4.120 0.000 0.000 0.246 322 V C 2.206 178.153 176.094 -0.245 0.000 1.047 322 V CA 1.297 63.439 62.300 -0.263 0.000 1.035 322 V CB -0.431 31.125 31.823 -0.446 0.000 0.658 322 V HN 0.225 nan 8.190 nan 0.000 0.452 323 L N 0.165 121.198 121.223 -0.316 0.000 2.046 323 L HA -0.154 4.186 4.340 0.000 0.000 0.208 323 L C 2.451 179.232 176.870 -0.147 0.000 1.077 323 L CA 2.418 57.100 54.840 -0.263 0.000 0.747 323 L CB -1.049 40.806 42.059 -0.340 0.000 0.896 323 L HN 0.342 nan 8.230 nan 0.000 0.432 324 T N -0.033 114.459 114.554 -0.104 0.000 2.720 324 T HA -0.186 4.164 4.350 0.000 0.000 0.268 324 T C 1.972 176.652 174.700 -0.033 0.000 1.037 324 T CA 2.073 64.147 62.100 -0.044 0.000 1.144 324 T CB -0.325 68.558 68.868 0.026 0.000 0.864 324 T HN 0.338 nan 8.240 nan 0.000 0.444 325 I N 0.610 121.149 120.570 -0.052 0.000 2.252 325 I HA -0.139 4.031 4.170 0.000 0.000 0.245 325 I C 2.732 178.796 176.117 -0.088 0.000 1.102 325 I CA 1.268 62.534 61.300 -0.056 0.000 1.385 325 I CB -0.321 37.625 38.000 -0.091 0.000 1.064 325 I HN 0.211 nan 8.210 nan 0.000 0.414 326 E N 1.334 121.462 120.200 -0.121 0.000 2.077 326 E HA -0.256 4.094 4.350 0.000 0.000 0.193 326 E C 2.028 178.577 176.600 -0.085 0.000 0.989 326 E CA 1.275 57.605 56.400 -0.116 0.000 0.800 326 E CB -0.266 29.361 29.700 -0.121 0.000 0.746 326 E HN 0.300 nan 8.360 nan 0.000 0.452 327 L N 0.970 122.141 121.223 -0.086 0.000 2.046 327 L HA -0.095 4.245 4.340 0.000 0.000 0.208 327 L C 1.209 178.031 176.870 -0.081 0.000 1.077 327 L CA 1.827 56.618 54.840 -0.081 0.000 0.747 327 L CB -0.427 41.576 42.059 -0.094 0.000 0.896 327 L HN 0.153 nan 8.230 nan 0.000 0.432 328 N N -0.114 118.540 118.700 -0.078 0.000 2.322 328 N HA 0.188 4.929 4.740 0.000 0.000 0.194 328 N C 0.311 175.803 175.510 -0.029 0.000 1.126 328 N CA 0.614 53.630 53.050 -0.056 0.000 0.845 328 N CB 0.249 38.721 38.487 -0.025 0.000 0.976 328 N HN 0.411 nan 8.380 nan 0.000 0.475 329 A N 0.278 123.072 122.820 -0.044 0.000 2.248 329 A HA 0.567 4.887 4.320 0.000 0.000 0.316 329 A C 0.034 177.596 177.584 -0.037 0.000 1.101 329 A CA -0.401 51.609 52.037 -0.044 0.000 0.875 329 A CB 1.045 20.004 19.000 -0.069 0.000 1.207 329 A HN -0.035 nan 8.150 nan 0.000 0.504 330 V N 1.472 121.364 119.914 -0.037 0.000 2.304 330 V HA 0.263 4.383 4.120 0.000 0.000 0.269 330 V C 0.927 177.000 176.094 -0.036 0.000 1.036 330 V CA 0.415 62.699 62.300 -0.028 0.000 0.840 330 V CB 0.462 32.270 31.823 -0.025 0.000 1.036 330 V HN 1.025 nan 8.190 nan 0.000 0.466 331 T N -0.702 113.840 114.554 -0.019 0.000 3.206 331 T HA 0.194 4.544 4.350 0.000 0.000 0.253 331 T C 0.177 174.900 174.700 0.038 0.000 1.042 331 T CA -0.530 61.567 62.100 -0.006 0.000 0.931 331 T CB -0.391 68.484 68.868 0.011 0.000 1.029 331 T HN 0.531 nan 8.240 nan 0.000 0.564 332 D N 2.367 122.779 120.400 0.020 0.000 2.358 332 D HA 0.518 5.158 4.640 0.000 0.000 0.244 332 D C -0.052 176.268 176.300 0.033 0.000 1.163 332 D CA 0.018 54.044 54.000 0.042 0.000 0.945 332 D CB 0.487 41.294 40.800 0.012 0.000 1.152 332 D HN 0.346 nan 8.370 nan 0.000 0.451 333 N N -0.046 118.701 118.700 0.080 0.000 2.600 333 N HA 0.252 4.992 4.740 0.000 0.000 0.272 333 N C -2.941 172.612 175.510 0.072 0.000 1.095 333 N CA -1.246 51.833 53.050 0.048 0.000 0.993 333 N CB 1.727 40.367 38.487 0.256 0.000 1.603 333 N HN 0.023 nan 8.380 nan 0.000 0.526 334 P HA 0.317 nan 4.420 nan 0.000 0.279 334 P C -0.871 176.121 177.300 -0.513 0.000 1.282 334 P CA -0.417 62.423 63.100 -0.435 0.000 0.788 334 P CB 0.903 32.158 31.700 -0.742 0.000 1.139 335 V N -3.799 115.728 119.914 -0.645 0.000 2.962 335 V HA 0.628 4.748 4.120 0.000 0.000 0.313 335 V C -1.031 174.606 176.094 -0.762 0.000 1.099 335 V CA -0.948 61.005 62.300 -0.579 0.000 0.971 335 V CB 1.660 33.331 31.823 -0.253 0.000 1.028 335 V HN 0.225 nan 8.190 nan 0.000 0.430 336 F N 2.023 121.959 119.950 -0.023 0.000 2.366 336 F HA 0.618 5.145 4.527 0.000 0.000 0.366 336 F C -2.403 173.392 175.800 -0.008 0.000 1.096 336 F CA -2.565 55.429 58.000 -0.011 0.000 1.060 336 F CB 1.346 40.346 39.000 -0.000 0.000 1.282 336 F HN 0.289 nan 8.300 nan 0.000 0.450 337 P HA -0.004 nan 4.420 nan 0.000 0.256 337 P C -1.997 175.349 177.300 0.076 0.000 1.173 337 P CA -0.603 62.532 63.100 0.060 0.000 0.768 337 P CB 0.440 32.163 31.700 0.038 0.000 0.758 338 P HA -0.184 nan 4.420 nan 0.000 0.219 338 P C 0.784 178.106 177.300 0.036 0.000 1.146 338 P CA 1.334 64.462 63.100 0.047 0.000 0.808 338 P CB -0.108 31.613 31.700 0.034 0.000 0.779 339 D N -1.803 118.615 120.400 0.030 0.000 2.348 339 D HA 0.017 4.657 4.640 0.000 0.000 0.216 339 D C 1.481 177.798 176.300 0.028 0.000 0.970 339 D CA 0.976 54.990 54.000 0.024 0.000 0.889 339 D CB -1.192 39.618 40.800 0.018 0.000 0.912 339 D HN 0.181 nan 8.370 nan 0.000 0.524 340 G N -0.023 108.801 108.800 0.039 0.000 2.148 340 G HA2 -0.385 3.575 3.960 0.000 0.000 0.254 340 G HA3 -0.385 3.575 3.960 0.000 0.000 0.254 340 G C 1.281 176.204 174.900 0.040 0.000 0.981 340 G CA 1.126 46.252 45.100 0.043 0.000 0.670 340 G HN 0.641 nan 8.290 nan 0.000 0.528 341 S N -1.204 114.517 115.700 0.034 0.000 2.359 341 S HA 0.111 4.581 4.470 0.000 0.000 0.223 341 S C 1.281 175.902 174.600 0.036 0.000 1.039 341 S CA 2.131 60.349 58.200 0.029 0.000 1.042 341 S CB -0.626 62.587 63.200 0.022 0.000 0.915 341 S HN 2.047 nan 8.310 nan 0.000 0.439 342 V N -3.190 116.751 119.914 0.045 0.000 3.040 342 V HA 0.567 4.687 4.120 0.000 0.000 0.312 342 V C -2.389 173.756 176.094 0.085 0.000 1.115 342 V CA -2.239 60.095 62.300 0.056 0.000 0.998 342 V CB 1.226 33.078 31.823 0.047 0.000 1.042 342 V HN -0.080 nan 8.190 nan 0.000 0.433 343 P HA 0.144 nan 4.420 nan 0.000 0.215 343 P C 0.305 177.745 177.300 0.233 0.000 1.153 343 P CA 2.338 65.531 63.100 0.156 0.000 0.853 343 P CB 0.155 31.943 31.700 0.147 0.000 0.788 344 A N -2.287 120.620 122.820 0.145 0.000 2.586 344 A HA 0.628 4.948 4.320 0.000 0.000 0.291 344 A C -1.919 175.639 177.584 -0.043 0.000 1.062 344 A CA -0.567 51.474 52.037 0.007 0.000 0.666 344 A CB 0.378 19.354 19.000 -0.039 0.000 1.281 344 A HN -0.050 nan 8.150 nan 0.000 0.421 345 L N 1.045 122.151 121.223 -0.194 0.000 2.362 345 L HA 0.601 4.941 4.340 0.000 0.000 0.271 345 L C -1.066 175.646 176.870 -0.263 0.000 1.002 345 L CA -0.683 54.086 54.840 -0.119 0.000 0.818 345 L CB 2.180 44.176 42.059 -0.106 0.000 1.298 345 L HN 0.836 nan 8.230 nan 0.000 0.420 346 H N 1.239 120.248 119.070 -0.101 0.000 2.539 346 H HA 0.724 5.280 4.556 0.000 0.000 0.332 346 H C 0.168 175.433 175.328 -0.106 0.000 1.031 346 H CA -0.149 55.839 56.048 -0.101 0.000 1.206 346 H CB 1.891 31.595 29.762 -0.096 0.000 1.446 346 H HN 0.741 nan 8.280 nan 0.000 0.496 347 G N 0.784 109.548 108.800 -0.060 0.000 2.896 347 G HA2 0.451 4.411 3.960 0.000 0.000 0.247 347 G HA3 0.451 4.411 3.960 0.000 0.000 0.247 347 G C -0.170 174.556 174.900 -0.289 0.000 1.187 347 G CA -0.313 44.709 45.100 -0.130 0.000 0.837 347 G HN 0.640 nan 8.290 nan 0.000 0.559 348 G N 0.003 108.521 108.800 -0.470 0.000 4.543 348 G HA2 0.270 4.230 3.960 0.000 0.000 0.286 348 G HA3 0.270 4.230 3.960 0.000 0.000 0.286 348 G C 0.247 174.573 174.900 -0.956 0.000 1.112 348 G CA -0.141 44.331 45.100 -1.048 0.000 0.870 348 G HN 0.261 nan 8.290 nan 0.000 0.540 349 N N 0.922 119.261 118.700 -0.602 0.000 2.609 349 N HA -0.037 4.703 4.740 0.000 0.000 0.190 349 N C 1.429 176.803 175.510 -0.226 0.000 1.157 349 N CA 0.310 53.167 53.050 -0.322 0.000 0.918 349 N CB -0.147 38.231 38.487 -0.181 0.000 0.978 349 N HN 0.623 nan 8.380 nan 0.000 0.448 350 F N -1.337 118.597 119.950 -0.028 0.000 2.789 350 F HA 0.349 4.876 4.527 0.000 0.000 0.300 350 F C 0.782 176.580 175.800 -0.004 0.000 1.132 350 F CA -0.851 57.138 58.000 -0.018 0.000 1.404 350 F CB -0.696 38.293 39.000 -0.018 0.000 1.114 350 F HN -0.169 nan 8.300 nan 0.000 0.584 351 M N 2.755 122.399 119.600 0.073 0.000 2.350 351 M HA 0.370 4.850 4.480 0.000 0.000 0.338 351 M C 0.977 177.338 176.300 0.102 0.000 1.559 351 M CA -0.703 54.683 55.300 0.144 0.000 1.217 351 M CB 0.106 32.710 32.600 0.007 0.000 1.808 351 M HN 0.240 nan 8.290 nan 0.000 0.458 352 G N 3.391 112.262 108.800 0.118 0.000 3.452 352 G HA2 0.022 3.982 3.960 0.000 0.000 0.258 352 G HA3 0.022 3.982 3.960 0.000 0.000 0.258 352 G C 0.699 175.642 174.900 0.072 0.000 1.305 352 G CA -0.174 44.978 45.100 0.087 0.000 1.514 352 G HN 0.804 nan 8.290 nan 0.000 0.593 353 Q N 0.038 119.879 119.800 0.069 0.000 2.167 353 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 353 Q C 1.921 177.895 176.000 -0.043 0.000 0.970 353 Q CA 1.471 57.280 55.803 0.008 0.000 0.855 353 Q CB -0.130 28.591 28.738 -0.027 0.000 0.911 353 Q HN 0.722 nan 8.270 nan 0.000 0.438 354 H N -1.762 117.290 119.070 -0.029 0.000 2.326 354 H HA -0.051 4.505 4.556 0.000 0.000 0.301 354 H C 1.800 177.054 175.328 -0.123 0.000 1.081 354 H CA 1.730 57.734 56.048 -0.072 0.000 1.334 354 H CB -0.005 29.701 29.762 -0.094 0.000 1.385 354 H HN 0.066 nan 8.280 nan 0.000 0.504 355 V N 0.476 120.402 119.914 0.020 0.000 2.548 355 V HA -0.201 3.919 4.120 0.000 0.000 0.249 355 V C 2.460 178.548 176.094 -0.010 0.000 1.055 355 V CA 1.356 63.630 62.300 -0.042 0.000 1.065 355 V CB -0.853 30.957 31.823 -0.023 0.000 0.681 355 V HN 0.564 nan 8.190 nan 0.000 0.462 356 A N -0.001 122.826 122.820 0.011 0.000 1.877 356 A HA -0.146 4.174 4.320 0.000 0.000 0.216 356 A C 2.194 179.797 177.584 0.032 0.000 1.186 356 A CA 1.734 53.788 52.037 0.028 0.000 0.620 356 A CB -0.497 18.521 19.000 0.030 0.000 0.822 356 A HN 0.481 nan 8.150 nan 0.000 0.443 357 L N -0.114 121.118 121.223 0.015 0.000 2.093 357 L HA -0.142 4.198 4.340 0.000 0.000 0.208 357 L C 2.962 179.887 176.870 0.093 0.000 1.085 357 L CA 1.788 56.668 54.840 0.065 0.000 0.755 357 L CB -0.891 41.216 42.059 0.080 0.000 0.904 357 L HN 0.661 nan 8.230 nan 0.000 0.435 358 T N -4.695 109.815 114.554 -0.073 0.000 2.904 358 T HA -0.080 4.270 4.350 0.000 0.000 0.267 358 T C 2.026 176.814 174.700 0.146 0.000 1.059 358 T CA 1.172 63.180 62.100 -0.154 0.000 1.137 358 T CB -0.180 68.383 68.868 -0.509 0.000 0.879 358 T HN 0.105 nan 8.240 nan 0.000 0.467 359 S N 1.592 117.371 115.700 0.133 0.000 2.368 359 S HA -0.091 4.379 4.470 0.000 0.000 0.224 359 S C 1.851 176.514 174.600 0.104 0.000 1.029 359 S CA 1.162 59.454 58.200 0.154 0.000 0.988 359 S CB -0.503 62.766 63.200 0.115 0.000 0.838 359 S HN 0.514 nan 8.310 nan 0.000 0.462 360 D N 1.627 122.085 120.400 0.097 0.000 2.117 360 D HA 0.016 4.656 4.640 0.000 0.000 0.198 360 D C 2.139 178.495 176.300 0.094 0.000 0.982 360 D CA 1.186 55.236 54.000 0.084 0.000 0.828 360 D CB -0.429 40.417 40.800 0.077 0.000 0.967 360 D HN 0.367 nan 8.370 nan 0.000 0.464 361 A N 0.774 123.686 122.820 0.153 0.000 1.902 361 A HA -0.137 4.183 4.320 0.000 0.000 0.217 361 A C 2.162 179.821 177.584 0.125 0.000 1.181 361 A CA 1.000 53.145 52.037 0.181 0.000 0.623 361 A CB -0.690 18.543 19.000 0.389 0.000 0.818 361 A HN 0.250 nan 8.150 nan 0.000 0.443 362 L N -0.246 121.044 121.223 0.112 0.000 2.093 362 L HA -0.014 4.326 4.340 0.000 0.000 0.208 362 L C 2.618 179.477 176.870 -0.018 0.000 1.085 362 L CA 2.066 56.917 54.840 0.018 0.000 0.755 362 L CB -0.766 41.221 42.059 -0.121 0.000 0.904 362 L HN 0.333 nan 8.230 nan 0.000 0.435 363 A N -1.462 121.361 122.820 0.005 0.000 1.908 363 A HA -0.220 4.100 4.320 0.000 0.000 0.218 363 A C 2.270 179.833 177.584 -0.036 0.000 1.181 363 A CA 2.372 54.404 52.037 -0.007 0.000 0.627 363 A CB -1.212 17.801 19.000 0.021 0.000 0.818 363 A HN 0.516 nan 8.150 nan 0.000 0.445 364 T N 0.103 114.645 114.554 -0.021 0.000 2.777 364 T HA 0.030 4.380 4.350 0.000 0.000 0.266 364 T C 2.237 176.883 174.700 -0.090 0.000 1.040 364 T CA 1.482 63.558 62.100 -0.041 0.000 1.141 364 T CB -0.424 68.435 68.868 -0.016 0.000 0.868 364 T HN 0.599 nan 8.240 nan 0.000 0.444 365 A N 0.932 123.700 122.820 -0.086 0.000 1.933 365 A HA -0.040 4.280 4.320 0.000 0.000 0.218 365 A C 2.558 179.975 177.584 -0.278 0.000 1.175 365 A CA 1.236 53.190 52.037 -0.139 0.000 0.628 365 A CB -0.965 17.990 19.000 -0.076 0.000 0.814 365 A HN 0.356 nan 8.150 nan 0.000 0.444 366 V N -0.337 119.403 119.914 -0.290 0.000 2.358 366 V HA -0.206 3.914 4.120 0.000 0.000 0.246 366 V C 2.724 178.498 176.094 -0.534 0.000 1.047 366 V CA 2.418 64.403 62.300 -0.526 0.000 1.035 366 V CB -1.131 30.553 31.823 -0.232 0.000 0.658 366 V HN 0.607 nan 8.190 nan 0.000 0.452 367 T N -0.118 114.268 114.554 -0.280 0.000 2.821 367 T HA -0.143 4.207 4.350 0.000 0.000 0.267 367 T C 1.948 176.511 174.700 -0.229 0.000 1.046 367 T CA 1.532 63.508 62.100 -0.207 0.000 1.139 367 T CB -0.156 68.647 68.868 -0.108 0.000 0.871 367 T HN 0.284 nan 8.240 nan 0.000 0.454 368 V N 1.233 121.011 119.914 -0.228 0.000 2.295 368 V HA -0.098 4.022 4.120 0.000 0.000 0.246 368 V C 2.390 178.335 176.094 -0.248 0.000 1.049 368 V CA 1.316 63.501 62.300 -0.193 0.000 1.024 368 V CB -0.575 31.150 31.823 -0.163 0.000 0.648 368 V HN 0.319 nan 8.190 nan 0.000 0.447 369 L N 0.320 121.297 121.223 -0.410 0.000 2.141 369 L HA -0.031 4.309 4.340 0.000 0.000 0.209 369 L C 2.517 179.149 176.870 -0.397 0.000 1.094 369 L CA 2.004 56.583 54.840 -0.435 0.000 0.763 369 L CB -1.137 40.525 42.059 -0.661 0.000 0.908 369 L HN 0.288 nan 8.230 nan 0.000 0.437 370 A N -0.658 121.810 122.820 -0.586 0.000 1.969 370 A HA -0.019 4.302 4.320 0.000 0.000 0.218 370 A C 2.415 179.964 177.584 -0.058 0.000 1.169 370 A CA 1.366 53.249 52.037 -0.256 0.000 0.635 370 A CB -1.151 17.721 19.000 -0.214 0.000 0.810 370 A HN 0.411 nan 8.150 nan 0.000 0.445 371 G N -0.081 108.660 108.800 -0.098 0.000 2.408 371 G HA2 -0.112 3.849 3.960 0.000 0.000 0.217 371 G HA3 -0.112 3.849 3.960 0.000 0.000 0.217 371 G C 1.469 176.365 174.900 -0.006 0.000 1.150 371 G CA 1.166 46.243 45.100 -0.038 0.000 0.776 371 G HN 0.506 nan 8.290 nan 0.000 0.542 372 L N 1.374 122.587 121.223 -0.017 0.000 2.017 372 L HA 0.184 4.524 4.340 0.000 0.000 0.208 372 L C 2.993 179.902 176.870 0.064 0.000 1.073 372 L CA 2.274 57.127 54.840 0.022 0.000 0.745 372 L CB -0.772 41.291 42.059 0.007 0.000 0.894 372 L HN 0.202 nan 8.230 nan 0.000 0.432 373 A N -0.824 122.058 122.820 0.103 0.000 1.902 373 A HA -0.222 4.098 4.320 0.000 0.000 0.217 373 A C 2.326 179.966 177.584 0.095 0.000 1.181 373 A CA 1.686 53.806 52.037 0.138 0.000 0.623 373 A CB -0.789 18.357 19.000 0.243 0.000 0.818 373 A HN 0.593 nan 8.150 nan 0.000 0.443 374 E N 0.011 120.259 120.200 0.080 0.000 2.077 374 E HA -0.203 4.147 4.350 0.000 0.000 0.193 374 E C 2.077 178.708 176.600 0.052 0.000 0.989 374 E CA 0.926 57.363 56.400 0.061 0.000 0.800 374 E CB -0.216 29.514 29.700 0.050 0.000 0.746 374 E HN 0.381 nan 8.360 nan 0.000 0.452 375 R N 0.323 120.851 120.500 0.047 0.000 2.115 375 R HA -0.043 4.297 4.340 0.000 0.000 0.226 375 R C 2.378 178.706 176.300 0.047 0.000 1.100 375 R CA 0.844 56.970 56.100 0.042 0.000 0.980 375 R CB -0.413 29.910 30.300 0.038 0.000 0.875 375 R HN 0.404 nan 8.270 nan 0.000 0.445 376 Q N 0.028 119.861 119.800 0.056 0.000 2.119 376 Q HA -0.041 4.299 4.340 0.000 0.000 0.201 376 Q C 2.148 178.172 176.000 0.039 0.000 0.972 376 Q CA 1.085 56.922 55.803 0.056 0.000 0.847 376 Q CB -0.073 28.709 28.738 0.072 0.000 0.903 376 Q HN 0.319 nan 8.270 nan 0.000 0.433 377 I N 0.512 121.104 120.570 0.037 0.000 2.252 377 I HA -0.229 3.941 4.170 0.000 0.000 0.245 377 I C 2.412 178.554 176.117 0.041 0.000 1.102 377 I CA 0.845 62.160 61.300 0.025 0.000 1.385 377 I CB -0.388 37.630 38.000 0.031 0.000 1.064 377 I HN 0.134 nan 8.210 nan 0.000 0.414 378 A N 0.838 123.689 122.820 0.051 0.000 1.940 378 A HA -0.250 4.070 4.320 0.000 0.000 0.219 378 A C 2.434 180.036 177.584 0.031 0.000 1.176 378 A CA 1.919 53.991 52.037 0.058 0.000 0.631 378 A CB -0.610 18.421 19.000 0.052 0.000 0.814 378 A HN 0.394 nan 8.150 nan 0.000 0.446 379 R N -0.969 119.543 120.500 0.020 0.000 2.055 379 R HA -0.013 4.327 4.340 0.000 0.000 0.226 379 R C 2.048 178.340 176.300 -0.014 0.000 1.135 379 R CA 1.348 57.450 56.100 0.002 0.000 0.959 379 R CB -0.451 29.857 30.300 0.013 0.000 0.854 379 R HN 0.376 nan 8.270 nan 0.000 0.431 380 L N 1.331 122.550 121.223 -0.006 0.000 2.127 380 L HA -0.133 4.207 4.340 0.000 0.000 0.211 380 L C 1.962 178.808 176.870 -0.040 0.000 1.089 380 L CA 2.497 57.325 54.840 -0.020 0.000 0.757 380 L CB -0.525 41.521 42.059 -0.021 0.000 0.899 380 L HN 0.484 nan 8.230 nan 0.000 0.434 381 T N -4.282 110.252 114.554 -0.033 0.000 3.107 381 T HA 0.033 4.383 4.350 0.000 0.000 0.249 381 T C 0.708 175.228 174.700 -0.300 0.000 1.096 381 T CA -0.090 61.972 62.100 -0.063 0.000 1.012 381 T CB -0.457 68.493 68.868 0.137 0.000 0.977 381 T HN 0.265 nan 8.240 nan 0.000 0.527 382 D N 2.562 122.837 120.400 -0.208 0.000 2.347 382 D HA 0.081 4.721 4.640 0.000 0.000 0.235 382 D C 1.315 177.493 176.300 -0.203 0.000 1.149 382 D CA -0.346 53.503 54.000 -0.252 0.000 0.850 382 D CB 1.315 42.048 40.800 -0.111 0.000 1.061 382 D HN 0.602 nan 8.370 nan 0.000 0.487 383 E N 3.329 123.379 120.200 -0.251 0.000 2.267 383 E HA -0.211 4.139 4.350 0.000 0.000 0.197 383 E C 1.068 177.617 176.600 -0.084 0.000 0.998 383 E CA 0.810 57.125 56.400 -0.141 0.000 0.830 383 E CB 0.068 29.697 29.700 -0.120 0.000 0.751 383 E HN 0.371 nan 8.360 nan 0.000 0.491 384 R N 0.006 120.458 120.500 -0.080 0.000 2.240 384 R HA 0.160 4.500 4.340 0.000 0.000 0.203 384 R C 1.752 178.027 176.300 -0.043 0.000 1.011 384 R CA 0.614 56.684 56.100 -0.049 0.000 1.007 384 R CB 0.161 30.438 30.300 -0.038 0.000 0.911 384 R HN 0.277 nan 8.270 nan 0.000 0.468 385 L N 0.052 121.245 121.223 -0.051 0.000 2.781 385 L HA 0.118 4.459 4.340 0.000 0.000 0.245 385 L C 0.542 177.391 176.870 -0.035 0.000 1.118 385 L CA -0.111 54.706 54.840 -0.038 0.000 0.918 385 L CB 0.215 42.253 42.059 -0.034 0.000 1.246 385 L HN 0.121 nan 8.230 nan 0.000 0.526 386 N N 0.888 119.561 118.700 -0.046 0.000 2.362 386 N HA -0.031 4.709 4.740 0.000 0.000 0.204 386 N C -0.041 175.452 175.510 -0.028 0.000 1.166 386 N CA -0.341 52.686 53.050 -0.037 0.000 0.831 386 N CB -0.188 38.270 38.487 -0.049 0.000 1.008 386 N HN 0.068 nan 8.380 nan 0.000 0.472 387 R N -0.365 120.119 120.500 -0.026 0.000 3.127 387 R HA -0.166 4.174 4.340 0.000 0.000 0.247 387 R C 0.847 177.136 176.300 -0.019 0.000 0.896 387 R CA 0.471 56.558 56.100 -0.021 0.000 0.624 387 R CB -2.167 28.123 30.300 -0.017 0.000 1.154 387 R HN 0.599 nan 8.270 nan 0.000 0.474 388 G N -0.903 107.885 108.800 -0.021 0.000 2.213 388 G HA2 -0.309 3.651 3.960 0.000 0.000 0.236 388 G HA3 -0.309 3.651 3.960 0.000 0.000 0.236 388 G C 0.301 175.190 174.900 -0.018 0.000 0.991 388 G CA 0.074 45.165 45.100 -0.016 0.000 0.629 388 G HN 0.281 nan 8.290 nan 0.000 0.517 389 L N 1.645 122.854 121.223 -0.023 0.000 2.453 389 L HA 0.401 4.741 4.340 0.000 0.000 0.261 389 L C -1.602 175.252 176.870 -0.027 0.000 1.179 389 L CA -1.928 52.898 54.840 -0.025 0.000 0.813 389 L CB 0.499 42.544 42.059 -0.023 0.000 1.110 389 L HN -0.067 nan 8.230 nan 0.000 0.466 390 P HA 0.064 nan 4.420 nan 0.000 0.269 390 P C -2.476 174.849 177.300 0.042 0.000 1.209 390 P CA -1.007 62.090 63.100 -0.006 0.000 0.776 390 P CB -0.156 31.436 31.700 -0.180 0.000 0.876 391 P HA -0.017 nan 4.420 nan 0.000 0.262 391 P C -0.260 177.085 177.300 0.075 0.000 1.199 391 P CA 0.387 63.428 63.100 -0.099 0.000 0.763 391 P CB -0.212 31.471 31.700 -0.029 0.000 0.790 392 F N 1.634 121.682 119.950 0.164 0.000 3.034 392 F HA -0.242 4.285 4.527 0.000 0.000 0.286 392 F C 1.282 177.255 175.800 0.289 0.000 0.804 392 F CA 0.312 58.433 58.000 0.202 0.000 1.161 392 F CB -2.654 36.455 39.000 0.182 0.000 1.317 392 F HN 0.269 nan 8.300 nan 0.000 0.453 393 L N -1.559 119.831 121.223 0.279 0.000 3.737 393 L HA -0.310 4.030 4.340 0.000 0.000 0.418 393 L C 1.290 178.313 176.870 0.256 0.000 1.216 393 L CA 1.041 56.022 54.840 0.234 0.000 0.915 393 L CB -1.979 40.237 42.059 0.261 0.000 1.834 393 L HN 0.692 nan 8.230 nan 0.000 0.943 394 H N 0.407 119.599 119.070 0.202 0.000 2.603 394 H HA 0.693 5.249 4.556 0.000 0.000 0.370 394 H C 0.250 175.632 175.328 0.090 0.000 1.225 394 H CA -0.502 55.623 56.048 0.128 0.000 1.410 394 H CB 0.942 30.771 29.762 0.112 0.000 1.495 394 H HN 0.304 nan 8.280 nan 0.000 0.602 395 R N -0.138 120.363 120.500 0.002 0.000 2.888 395 R HA 0.492 4.832 4.340 0.000 0.000 0.266 395 R C -0.406 175.986 176.300 0.154 0.000 1.020 395 R CA -0.263 55.813 56.100 -0.039 0.000 0.963 395 R CB 2.159 32.459 30.300 -0.000 0.000 1.197 395 R HN 1.111 nan 8.270 nan 0.000 0.481 396 G N 1.396 110.264 108.800 0.115 0.000 2.757 396 G HA2 -0.169 3.791 3.960 0.000 0.000 0.638 396 G HA3 -0.169 3.791 3.960 0.000 0.000 0.638 396 G C -2.813 172.212 174.900 0.209 0.000 1.344 396 G CA -1.261 43.919 45.100 0.134 0.000 0.855 396 G HN 0.376 nan 8.290 nan 0.000 0.537 397 P HA 0.474 nan 4.420 nan 0.000 0.268 397 P C 0.392 177.720 177.300 0.046 0.000 1.205 397 P CA 0.730 63.893 63.100 0.104 0.000 0.771 397 P CB 0.802 32.530 31.700 0.046 0.000 0.858 398 A N 2.847 125.672 122.820 0.009 0.000 2.386 398 A HA 0.517 4.837 4.320 0.000 0.000 0.248 398 A C 1.531 179.014 177.584 -0.168 0.000 1.082 398 A CA 0.720 52.569 52.037 -0.313 0.000 0.789 398 A CB -0.902 18.006 19.000 -0.153 0.000 1.025 398 A HN 0.798 nan 8.150 nan 0.000 0.490 399 G N 0.010 108.695 108.800 -0.192 0.000 3.206 399 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 399 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 399 G C 1.063 175.914 174.900 -0.081 0.000 1.350 399 G CA 0.515 45.559 45.100 -0.093 0.000 0.836 399 G HN 0.861 nan 8.290 nan 0.000 0.548 400 L N 1.044 122.226 121.223 -0.067 0.000 2.275 400 L HA 0.163 4.503 4.340 0.000 0.000 0.215 400 L C 0.716 177.557 176.870 -0.048 0.000 1.119 400 L CA 0.854 55.669 54.840 -0.042 0.000 0.790 400 L CB -0.275 41.773 42.059 -0.019 0.000 0.919 400 L HN 0.315 nan 8.230 nan 0.000 0.443 401 N N -1.444 117.206 118.700 -0.082 0.000 2.249 401 N HA 0.211 4.951 4.740 0.000 0.000 0.296 401 N C -0.169 175.266 175.510 -0.125 0.000 1.051 401 N CA -0.135 52.880 53.050 -0.059 0.000 0.815 401 N CB 2.170 40.686 38.487 0.047 0.000 1.487 401 N HN -0.233 nan 8.380 nan 0.000 0.475 402 S N 0.062 115.728 115.700 -0.056 0.000 2.559 402 S HA 0.258 4.728 4.470 0.000 0.000 0.226 402 S C 1.273 175.918 174.600 0.074 0.000 1.000 402 S CA 0.056 58.236 58.200 -0.034 0.000 0.948 402 S CB 0.552 63.681 63.200 -0.119 0.000 0.870 402 S HN 0.939 nan 8.310 nan 0.000 0.497 403 G N 2.509 111.351 108.800 0.069 0.000 2.629 403 G HA2 -0.345 3.615 3.960 0.000 0.000 0.313 403 G HA3 -0.345 3.615 3.960 0.000 0.000 0.313 403 G C 0.217 175.034 174.900 -0.137 0.000 1.217 403 G CA 0.746 45.855 45.100 0.016 0.000 0.994 403 G HN 0.461 nan 8.290 nan 0.000 0.549 404 F N 1.367 121.403 119.950 0.143 0.000 2.663 404 F HA 0.478 5.005 4.527 0.000 0.000 0.299 404 F C 2.377 178.204 175.800 0.046 0.000 1.143 404 F CA 0.898 58.956 58.000 0.096 0.000 1.387 404 F CB 0.150 39.223 39.000 0.123 0.000 1.019 404 F HN 0.321 nan 8.300 nan 0.000 0.523 405 M N -0.005 119.595 119.600 0.000 0.000 2.149 405 M HA -0.124 4.356 4.480 0.000 0.000 0.261 405 M C 2.377 178.544 176.300 -0.222 0.000 1.064 405 M CA 2.208 57.235 55.300 -0.455 0.000 1.102 405 M CB -0.420 31.650 32.600 -0.883 0.000 1.369 405 M HN 0.317 nan 8.290 nan 0.000 0.408 406 G N -0.908 107.822 108.800 -0.116 0.000 2.394 406 G HA2 -0.073 3.887 3.960 0.000 0.000 0.215 406 G HA3 -0.073 3.887 3.960 0.000 0.000 0.215 406 G C 1.477 176.380 174.900 0.005 0.000 1.165 406 G CA 0.687 45.749 45.100 -0.065 0.000 0.784 406 G HN 0.604 nan 8.290 nan 0.000 0.535 407 A N 0.032 122.893 122.820 0.068 0.000 1.933 407 A HA -0.089 4.231 4.320 0.000 0.000 0.218 407 A C 2.265 179.916 177.584 0.112 0.000 1.175 407 A CA 2.005 54.114 52.037 0.120 0.000 0.628 407 A CB -0.419 18.732 19.000 0.253 0.000 0.814 407 A HN 0.378 nan 8.150 nan 0.000 0.444 408 Q N 0.103 119.983 119.800 0.133 0.000 2.084 408 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 408 Q C 2.090 178.138 176.000 0.081 0.000 0.978 408 Q CA 2.082 57.961 55.803 0.126 0.000 0.844 408 Q CB -0.295 28.567 28.738 0.206 0.000 0.898 408 Q HN 0.429 nan 8.270 nan 0.000 0.426 409 V N 0.518 120.462 119.914 0.049 0.000 2.427 409 V HA -0.202 3.918 4.120 0.000 0.000 0.248 409 V C 2.357 178.469 176.094 0.029 0.000 1.051 409 V CA 2.013 64.331 62.300 0.029 0.000 1.048 409 V CB -0.812 31.009 31.823 -0.003 0.000 0.666 409 V HN 0.377 nan 8.190 nan 0.000 0.456 410 T N 0.407 114.979 114.554 0.030 0.000 2.788 410 T HA -0.159 4.191 4.350 0.000 0.000 0.268 410 T C 2.048 176.769 174.700 0.035 0.000 1.044 410 T CA 1.581 63.698 62.100 0.029 0.000 1.139 410 T CB -0.345 68.540 68.868 0.030 0.000 0.867 410 T HN 0.576 nan 8.240 nan 0.000 0.454 411 A N 1.132 123.979 122.820 0.045 0.000 1.933 411 A HA -0.106 4.214 4.320 0.000 0.000 0.218 411 A C 2.538 180.149 177.584 0.045 0.000 1.175 411 A CA 1.977 54.042 52.037 0.048 0.000 0.628 411 A CB -1.109 17.922 19.000 0.053 0.000 0.814 411 A HN 0.472 nan 8.150 nan 0.000 0.444 412 T N 0.304 114.884 114.554 0.043 0.000 2.777 412 T HA 0.005 4.355 4.350 0.000 0.000 0.266 412 T C 2.225 176.942 174.700 0.029 0.000 1.040 412 T CA 1.471 63.593 62.100 0.036 0.000 1.141 412 T CB -0.422 68.468 68.868 0.037 0.000 0.868 412 T HN 0.587 nan 8.240 nan 0.000 0.444 413 A N 1.291 124.127 122.820 0.027 0.000 1.902 413 A HA 0.015 4.335 4.320 0.000 0.000 0.217 413 A C 2.292 179.891 177.584 0.024 0.000 1.181 413 A CA 1.173 53.222 52.037 0.022 0.000 0.623 413 A CB -0.829 18.182 19.000 0.018 0.000 0.818 413 A HN 0.477 nan 8.150 nan 0.000 0.443 414 L N -1.177 120.064 121.223 0.030 0.000 2.046 414 L HA -0.156 4.184 4.340 0.000 0.000 0.208 414 L C 2.559 179.450 176.870 0.035 0.000 1.077 414 L CA 1.173 56.034 54.840 0.035 0.000 0.747 414 L CB -0.551 41.535 42.059 0.044 0.000 0.896 414 L HN 0.472 nan 8.230 nan 0.000 0.432 415 L N 0.243 121.487 121.223 0.034 0.000 2.027 415 L HA -0.113 4.227 4.340 0.000 0.000 0.206 415 L C 2.662 179.540 176.870 0.014 0.000 1.074 415 L CA 1.956 56.810 54.840 0.024 0.000 0.745 415 L CB -0.695 41.377 42.059 0.022 0.000 0.898 415 L HN 0.131 nan 8.230 nan 0.000 0.433 416 A N -0.693 122.136 122.820 0.015 0.000 1.908 416 A HA -0.307 4.013 4.320 0.000 0.000 0.218 416 A C 2.334 179.924 177.584 0.011 0.000 1.181 416 A CA 1.996 54.040 52.037 0.011 0.000 0.627 416 A CB -0.822 18.186 19.000 0.013 0.000 0.818 416 A HN 0.652 nan 8.150 nan 0.000 0.445 417 E N -0.657 119.552 120.200 0.015 0.000 2.077 417 E HA -0.197 4.154 4.350 0.000 0.000 0.193 417 E C 2.051 178.660 176.600 0.015 0.000 0.989 417 E CA 1.373 57.781 56.400 0.015 0.000 0.800 417 E CB -0.223 29.487 29.700 0.018 0.000 0.746 417 E HN 0.667 nan 8.360 nan 0.000 0.452 418 M N 0.059 119.669 119.600 0.016 0.000 2.108 418 M HA -0.193 4.287 4.480 0.000 0.000 0.261 418 M C 2.360 178.663 176.300 0.005 0.000 1.066 418 M CA 1.652 56.960 55.300 0.013 0.000 1.107 418 M CB -0.226 32.378 32.600 0.008 0.000 1.356 418 M HN 0.041 nan 8.290 nan 0.000 0.406 419 R N 0.056 120.557 120.500 0.001 0.000 2.189 419 R HA -0.032 4.308 4.340 0.000 0.000 0.223 419 R C 2.226 178.530 176.300 0.006 0.000 1.092 419 R CA 1.117 57.216 56.100 -0.001 0.000 0.989 419 R CB -0.481 29.816 30.300 -0.004 0.000 0.876 419 R HN 0.381 nan 8.270 nan 0.000 0.457 420 A N 0.635 123.460 122.820 0.009 0.000 2.070 420 A HA -0.053 4.267 4.320 0.000 0.000 0.220 420 A C 0.815 178.407 177.584 0.014 0.000 1.159 420 A CA 1.028 53.071 52.037 0.011 0.000 0.656 420 A CB 0.001 19.006 19.000 0.009 0.000 0.800 420 A HN 0.123 nan 8.150 nan 0.000 0.453 421 T N 0.032 114.595 114.554 0.016 0.000 2.771 421 T HA 0.552 4.902 4.350 0.000 0.000 0.281 421 T C 0.444 175.164 174.700 0.032 0.000 0.982 421 T CA 0.046 62.160 62.100 0.023 0.000 0.978 421 T CB 1.531 70.411 68.868 0.021 0.000 0.930 421 T HN 0.376 nan 8.240 nan 0.000 0.447 422 G N 3.036 111.868 108.800 0.053 0.000 2.795 422 G HA2 0.670 4.630 3.960 0.000 0.000 0.267 422 G HA3 0.670 4.630 3.960 0.000 0.000 0.267 422 G C -2.624 172.325 174.900 0.082 0.000 1.362 422 G CA -1.601 43.536 45.100 0.062 0.000 1.048 422 G HN 0.436 nan 8.290 nan 0.000 0.547 423 P HA 0.252 nan 4.420 nan 0.000 0.266 423 P C 0.343 177.722 177.300 0.132 0.000 1.195 423 P CA 0.386 63.531 63.100 0.074 0.000 0.768 423 P CB 1.305 33.026 31.700 0.034 0.000 0.838 424 A N 1.990 124.885 122.820 0.124 0.000 1.984 424 A HA -0.044 4.276 4.320 0.000 0.000 0.214 424 A C 2.096 179.766 177.584 0.142 0.000 1.173 424 A CA 1.062 53.208 52.037 0.181 0.000 0.673 424 A CB -1.042 18.026 19.000 0.113 0.000 0.830 424 A HN 0.476 nan 8.150 nan 0.000 0.453 425 S N 0.655 116.391 115.700 0.061 0.000 2.387 425 S HA -0.213 4.257 4.470 0.000 0.000 0.230 425 S C 1.730 176.307 174.600 -0.040 0.000 1.035 425 S CA 1.707 59.919 58.200 0.020 0.000 1.014 425 S CB -0.731 62.477 63.200 0.015 0.000 0.836 425 S HN 0.801 nan 8.310 nan 0.000 0.466 426 I N -1.221 119.259 120.570 -0.149 0.000 3.334 426 I HA 0.021 4.191 4.170 0.000 0.000 0.282 426 I C 0.778 176.668 176.117 -0.378 0.000 1.313 426 I CA 1.106 62.243 61.300 -0.272 0.000 1.396 426 I CB -0.379 37.409 38.000 -0.354 0.000 1.054 426 I HN 0.183 nan 8.210 nan 0.000 0.495 427 H N 1.295 120.376 119.070 0.017 0.000 2.524 427 H HA 0.304 4.860 4.556 0.000 0.000 0.299 427 H C 0.690 176.029 175.328 0.018 0.000 1.074 427 H CA -0.188 55.870 56.048 0.017 0.000 1.115 427 H CB 0.068 29.840 29.762 0.016 0.000 1.522 427 H HN 0.324 nan 8.280 nan 0.000 0.543 428 S N 1.228 116.968 115.700 0.067 0.000 2.552 428 S HA 0.188 4.658 4.470 0.000 0.000 0.289 428 S C 0.261 174.896 174.600 0.059 0.000 1.304 428 S CA -0.207 58.028 58.200 0.059 0.000 1.063 428 S CB 0.018 63.239 63.200 0.034 0.000 0.848 428 S HN 0.299 nan 8.310 nan 0.000 0.499 429 I N 3.341 123.945 120.570 0.056 0.000 2.533 429 I HA 0.216 4.386 4.170 0.000 0.000 0.290 429 I C 0.032 176.173 176.117 0.040 0.000 1.056 429 I CA -0.641 60.688 61.300 0.048 0.000 1.057 429 I CB 2.143 40.173 38.000 0.049 0.000 1.240 429 I HN 0.594 nan 8.210 nan 0.000 0.423 430 S N 3.995 119.716 115.700 0.035 0.000 2.525 430 S HA 0.247 4.717 4.470 0.000 0.000 0.285 430 S C -0.204 174.415 174.600 0.032 0.000 1.283 430 S CA 0.427 58.646 58.200 0.033 0.000 1.072 430 S CB 0.216 63.433 63.200 0.028 0.000 0.867 430 S HN 0.765 nan 8.310 nan 0.000 0.492 431 T N 3.160 117.734 114.554 0.033 0.000 2.696 431 T HA 0.422 4.772 4.350 0.000 0.000 0.291 431 T C -0.309 174.411 174.700 0.032 0.000 1.095 431 T CA -0.116 62.003 62.100 0.031 0.000 1.026 431 T CB 0.838 69.725 68.868 0.031 0.000 1.390 431 T HN 0.916 nan 8.240 nan 0.000 0.513 432 N N 0.638 119.357 118.700 0.032 0.000 2.727 432 N HA -0.221 4.519 4.740 0.000 0.000 0.251 432 N C 0.274 175.804 175.510 0.033 0.000 1.040 432 N CA 0.797 53.868 53.050 0.035 0.000 0.712 432 N CB -1.205 37.305 38.487 0.038 0.000 0.912 432 N HN 1.567 nan 8.380 nan 0.000 0.545 433 A N -0.657 122.180 122.820 0.028 0.000 2.822 433 A HA 0.023 4.343 4.320 0.000 0.000 0.287 433 A C 1.324 178.924 177.584 0.027 0.000 1.479 433 A CA 2.017 54.070 52.037 0.025 0.000 0.779 433 A CB -2.305 16.710 19.000 0.025 0.000 1.022 433 A HN 2.275 nan 8.150 nan 0.000 0.532 434 A N -2.318 120.518 122.820 0.028 0.000 3.413 434 A HA -0.357 3.963 4.320 0.000 0.000 0.268 434 A C 1.393 178.996 177.584 0.032 0.000 1.128 434 A CA 2.054 54.107 52.037 0.028 0.000 1.062 434 A CB -2.520 16.494 19.000 0.024 0.000 1.121 434 A HN 2.264 nan 8.150 nan 0.000 0.895 435 N N 0.001 118.723 118.700 0.035 0.000 2.171 435 N HA -0.085 4.655 4.740 0.000 0.000 0.184 435 N C 0.988 176.526 175.510 0.046 0.000 1.021 435 N CA 1.831 54.905 53.050 0.040 0.000 0.854 435 N CB -0.161 38.353 38.487 0.045 0.000 0.994 435 N HN 0.747 nan 8.380 nan 0.000 0.426 436 Q N 0.566 120.393 119.800 0.045 0.000 3.091 436 Q HA 0.069 4.409 4.340 0.000 0.000 0.301 436 Q C -0.376 175.652 176.000 0.048 0.000 1.337 436 Q CA -0.282 55.553 55.803 0.053 0.000 1.083 436 Q CB 0.568 29.332 28.738 0.042 0.000 1.477 436 Q HN 0.507 nan 8.270 nan 0.000 0.537 437 D N -0.440 119.986 120.400 0.045 0.000 2.310 437 D HA -0.092 4.548 4.640 0.000 0.000 0.212 437 D C 0.709 177.032 176.300 0.038 0.000 0.965 437 D CA 0.491 54.513 54.000 0.037 0.000 0.879 437 D CB 0.077 40.895 40.800 0.030 0.000 0.921 437 D HN 0.208 nan 8.370 nan 0.000 0.510 438 V N -1.443 118.498 119.914 0.046 0.000 2.638 438 V HA 0.732 4.853 4.120 0.000 0.000 0.306 438 V C -0.313 175.817 176.094 0.060 0.000 1.052 438 V CA -1.211 61.116 62.300 0.044 0.000 0.885 438 V CB 1.751 33.595 31.823 0.036 0.000 0.999 438 V HN 0.109 nan 8.190 nan 0.000 0.424 439 V N 1.364 121.311 119.914 0.056 0.000 2.914 439 V HA 0.789 4.909 4.120 0.000 0.000 0.314 439 V C 1.064 177.194 176.094 0.060 0.000 1.084 439 V CA 0.294 62.635 62.300 0.067 0.000 0.963 439 V CB 1.572 33.431 31.823 0.059 0.000 1.025 439 V HN 1.244 nan 8.190 nan 0.000 0.432 440 S N 2.294 118.034 115.700 0.067 0.000 2.425 440 S HA 0.111 4.581 4.470 0.000 0.000 0.225 440 S C 1.141 175.773 174.600 0.054 0.000 1.024 440 S CA 1.016 59.249 58.200 0.056 0.000 0.951 440 S CB -0.875 62.363 63.200 0.062 0.000 0.796 440 S HN 1.374 nan 8.310 nan 0.000 0.498 441 L N 0.458 121.716 121.223 0.057 0.000 4.001 441 L HA -0.199 4.141 4.340 0.000 0.000 0.413 441 L C 1.497 178.399 176.870 0.054 0.000 1.185 441 L CA 0.041 54.916 54.840 0.057 0.000 0.963 441 L CB -2.281 39.821 42.059 0.071 0.000 1.976 441 L HN 0.532 nan 8.230 nan 0.000 0.939 442 G N -0.531 108.299 108.800 0.050 0.000 2.448 442 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 442 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 442 G C 1.272 176.198 174.900 0.044 0.000 1.127 442 G CA 1.364 46.491 45.100 0.046 0.000 0.766 442 G HN 0.471 nan 8.290 nan 0.000 0.552 443 T N 1.266 115.844 114.554 0.039 0.000 2.812 443 T HA 0.000 4.350 4.350 0.000 0.000 0.264 443 T C 2.377 177.098 174.700 0.036 0.000 1.042 443 T CA 0.825 62.945 62.100 0.033 0.000 1.140 443 T CB -0.102 68.781 68.868 0.024 0.000 0.870 443 T HN 0.265 nan 8.240 nan 0.000 0.445 444 I N 1.620 122.213 120.570 0.038 0.000 2.226 444 I HA -0.154 4.016 4.170 0.000 0.000 0.245 444 I C 2.972 179.117 176.117 0.048 0.000 1.100 444 I CA 1.037 62.360 61.300 0.039 0.000 1.374 444 I CB -0.498 37.527 38.000 0.041 0.000 1.057 444 I HN 0.202 nan 8.210 nan 0.000 0.413 445 A N 0.786 123.639 122.820 0.055 0.000 1.902 445 A HA -0.185 4.135 4.320 0.000 0.000 0.217 445 A C 2.542 180.164 177.584 0.063 0.000 1.181 445 A CA 1.972 54.046 52.037 0.062 0.000 0.623 445 A CB -0.865 18.172 19.000 0.062 0.000 0.818 445 A HN 0.430 nan 8.150 nan 0.000 0.443 446 A N -0.426 122.432 122.820 0.063 0.000 1.930 446 A HA -0.127 4.193 4.320 0.000 0.000 0.217 446 A C 2.244 179.866 177.584 0.063 0.000 1.175 446 A CA 1.454 53.535 52.037 0.073 0.000 0.627 446 A CB -0.421 18.621 19.000 0.071 0.000 0.815 446 A HN 0.548 nan 8.150 nan 0.000 0.443 447 R N -0.527 120.004 120.500 0.051 0.000 2.092 447 R HA 0.021 4.361 4.340 0.000 0.000 0.231 447 R C 1.968 178.296 176.300 0.046 0.000 1.119 447 R CA 1.305 57.432 56.100 0.045 0.000 0.970 447 R CB -0.441 29.879 30.300 0.033 0.000 0.864 447 R HN 0.495 nan 8.270 nan 0.000 0.440 448 L N -0.267 120.983 121.223 0.045 0.000 2.141 448 L HA -0.198 4.142 4.340 0.000 0.000 0.209 448 L C 2.731 179.629 176.870 0.047 0.000 1.094 448 L CA 0.687 55.553 54.840 0.043 0.000 0.763 448 L CB -0.481 41.605 42.059 0.044 0.000 0.908 448 L HN 0.374 nan 8.230 nan 0.000 0.437 449 C N 0.377 119.708 119.300 0.052 0.000 2.440 449 C HA -0.140 4.320 4.460 0.000 0.000 0.278 449 C C 3.099 178.126 174.990 0.063 0.000 1.295 449 C CA 0.794 59.842 59.018 0.050 0.000 1.738 449 C CB -0.512 27.256 27.740 0.048 0.000 1.987 449 C HN 0.507 nan 8.230 nan 0.000 0.492 450 R N 1.290 121.831 120.500 0.067 0.000 2.091 450 R HA -0.087 4.253 4.340 0.000 0.000 0.238 450 R C 2.100 178.446 176.300 0.077 0.000 1.136 450 R CA 2.060 58.206 56.100 0.077 0.000 0.959 450 R CB -0.794 29.549 30.300 0.071 0.000 0.856 450 R HN 0.528 nan 8.270 nan 0.000 0.437 451 E N 0.709 120.947 120.200 0.063 0.000 2.110 451 E HA -0.176 4.174 4.350 0.000 0.000 0.193 451 E C 1.838 178.480 176.600 0.071 0.000 0.988 451 E CA 1.360 57.795 56.400 0.059 0.000 0.804 451 E CB -0.095 29.632 29.700 0.045 0.000 0.745 451 E HN 0.441 nan 8.360 nan 0.000 0.458 452 K N 0.249 120.693 120.400 0.072 0.000 2.148 452 K HA 0.007 4.327 4.320 0.000 0.000 0.204 452 K C 2.268 178.959 176.600 0.151 0.000 1.050 452 K CA 0.613 56.949 56.287 0.081 0.000 0.942 452 K CB -0.046 32.480 32.500 0.043 0.000 0.724 452 K HN 0.089 nan 8.250 nan 0.000 0.446 453 I N 1.377 122.049 120.570 0.169 0.000 2.252 453 I HA -0.268 3.902 4.170 0.000 0.000 0.245 453 I C 1.528 177.763 176.117 0.197 0.000 1.102 453 I CA 1.138 62.592 61.300 0.257 0.000 1.385 453 I CB -0.209 37.907 38.000 0.192 0.000 1.064 453 I HN 0.136 nan 8.210 nan 0.000 0.414 454 D N 0.592 121.067 120.400 0.124 0.000 2.144 454 D HA -0.123 4.517 4.640 0.000 0.000 0.200 454 D C 2.332 178.683 176.300 0.085 0.000 0.978 454 D CA 0.891 54.939 54.000 0.081 0.000 0.833 454 D CB -0.187 40.650 40.800 0.062 0.000 0.961 454 D HN 0.177 nan 8.370 nan 0.000 0.470 455 R N -0.073 120.495 120.500 0.113 0.000 2.075 455 R HA -0.111 4.229 4.340 0.000 0.000 0.232 455 R C 2.129 178.536 176.300 0.178 0.000 1.126 455 R CA 0.464 56.631 56.100 0.111 0.000 0.963 455 R CB -1.041 29.316 30.300 0.095 0.000 0.858 455 R HN 0.341 nan 8.270 nan 0.000 0.435 456 W N 1.921 123.220 121.300 -0.002 0.000 2.363 456 W HA -0.083 4.577 4.660 0.000 0.000 0.296 456 W C 2.054 178.562 176.519 -0.018 0.000 1.212 456 W CA 1.336 58.680 57.345 -0.002 0.000 1.260 456 W CB -0.557 28.909 29.460 0.010 0.000 1.131 456 W HN 0.132 nan 8.180 nan 0.000 0.530 457 A N 0.134 122.948 122.820 -0.011 0.000 1.933 457 A HA -0.208 4.112 4.320 0.000 0.000 0.218 457 A C 1.870 179.364 177.584 -0.149 0.000 1.175 457 A CA 1.886 53.802 52.037 -0.202 0.000 0.628 457 A CB -0.729 18.176 19.000 -0.158 0.000 0.814 457 A HN 0.444 nan 8.150 nan 0.000 0.444 458 E N -0.270 119.900 120.200 -0.050 0.000 2.072 458 E HA -0.108 4.242 4.350 0.000 0.000 0.191 458 E C 1.841 178.423 176.600 -0.030 0.000 0.985 458 E CA 1.139 57.513 56.400 -0.044 0.000 0.801 458 E CB -0.257 29.442 29.700 -0.001 0.000 0.750 458 E HN 0.693 nan 8.360 nan 0.000 0.452 459 I N 0.881 121.470 120.570 0.030 0.000 2.226 459 I HA -0.274 3.896 4.170 0.000 0.000 0.245 459 I C 2.240 178.368 176.117 0.017 0.000 1.100 459 I CA 1.008 62.344 61.300 0.060 0.000 1.374 459 I CB -0.174 37.918 38.000 0.154 0.000 1.057 459 I HN 0.122 nan 8.210 nan 0.000 0.413 460 L N 0.412 121.616 121.223 -0.033 0.000 2.141 460 L HA -0.165 4.175 4.340 0.000 0.000 0.209 460 L C 2.822 179.580 176.870 -0.186 0.000 1.094 460 L CA 1.091 55.868 54.840 -0.106 0.000 0.763 460 L CB -0.636 41.272 42.059 -0.252 0.000 0.908 460 L HN 0.233 nan 8.230 nan 0.000 0.437 461 A N 0.350 123.033 122.820 -0.229 0.000 1.902 461 A HA -0.171 4.149 4.320 0.000 0.000 0.217 461 A C 2.204 179.668 177.584 -0.199 0.000 1.181 461 A CA 1.442 53.312 52.037 -0.279 0.000 0.623 461 A CB -0.579 18.268 19.000 -0.256 0.000 0.818 461 A HN 0.341 nan 8.150 nan 0.000 0.443 462 I N -0.846 119.655 120.570 -0.115 0.000 2.252 462 I HA -0.212 3.958 4.170 0.000 0.000 0.245 462 I C 2.414 178.459 176.117 -0.119 0.000 1.102 462 I CA 1.107 62.364 61.300 -0.072 0.000 1.385 462 I CB -0.232 37.762 38.000 -0.009 0.000 1.064 462 I HN 0.395 nan 8.210 nan 0.000 0.414 463 L N 1.216 122.386 121.223 -0.089 0.000 2.046 463 L HA -0.134 4.206 4.340 0.000 0.000 0.208 463 L C 2.537 179.347 176.870 -0.101 0.000 1.077 463 L CA 2.112 56.905 54.840 -0.079 0.000 0.747 463 L CB -0.806 41.249 42.059 -0.007 0.000 0.896 463 L HN 0.176 nan 8.230 nan 0.000 0.432 464 A N -0.490 122.269 122.820 -0.102 0.000 1.902 464 A HA -0.162 4.158 4.320 0.000 0.000 0.217 464 A C 2.266 179.782 177.584 -0.114 0.000 1.181 464 A CA 1.991 53.983 52.037 -0.074 0.000 0.623 464 A CB -0.889 18.031 19.000 -0.133 0.000 0.818 464 A HN 0.505 nan 8.150 nan 0.000 0.443 465 L N -0.925 120.193 121.223 -0.176 0.000 2.046 465 L HA -0.238 4.102 4.340 0.000 0.000 0.208 465 L C 2.742 179.423 176.870 -0.315 0.000 1.077 465 L CA 1.236 55.994 54.840 -0.138 0.000 0.747 465 L CB -0.714 41.333 42.059 -0.020 0.000 0.896 465 L HN 0.485 nan 8.230 nan 0.000 0.432 466 C N -0.165 118.779 119.300 -0.593 0.000 2.429 466 C HA -0.155 4.305 4.460 0.000 0.000 0.277 466 C C 2.764 177.546 174.990 -0.347 0.000 1.262 466 C CA 0.568 59.086 59.018 -0.834 0.000 1.733 466 C CB -0.766 26.614 27.740 -0.599 0.000 2.010 466 C HN 0.427 nan 8.230 nan 0.000 0.483 467 L N 0.802 121.917 121.223 -0.181 0.000 2.093 467 L HA -0.119 4.221 4.340 0.000 0.000 0.208 467 L C 2.849 179.707 176.870 -0.020 0.000 1.085 467 L CA 1.426 56.227 54.840 -0.065 0.000 0.755 467 L CB -0.664 41.389 42.059 -0.010 0.000 0.904 467 L HN 0.334 nan 8.230 nan 0.000 0.435 468 A N -0.314 122.501 122.820 -0.008 0.000 1.877 468 A HA -0.303 4.017 4.320 0.000 0.000 0.216 468 A C 2.205 179.822 177.584 0.055 0.000 1.186 468 A CA 2.035 54.098 52.037 0.044 0.000 0.620 468 A CB -0.550 18.493 19.000 0.072 0.000 0.822 468 A HN 0.430 nan 8.150 nan 0.000 0.443 469 Q N -0.344 119.491 119.800 0.059 0.000 2.050 469 Q HA -0.031 4.309 4.340 0.000 0.000 0.202 469 Q C 2.099 178.135 176.000 0.061 0.000 0.980 469 Q CA 2.184 58.055 55.803 0.113 0.000 0.840 469 Q CB -0.534 28.364 28.738 0.267 0.000 0.898 469 Q HN 0.545 nan 8.270 nan 0.000 0.424 470 A N 0.557 123.383 122.820 0.011 0.000 1.908 470 A HA -0.151 4.169 4.320 0.000 0.000 0.218 470 A C 2.336 179.929 177.584 0.015 0.000 1.181 470 A CA 2.019 54.059 52.037 0.005 0.000 0.627 470 A CB -1.354 17.633 19.000 -0.021 0.000 0.818 470 A HN 0.578 nan 8.150 nan 0.000 0.445 471 A N -0.220 122.613 122.820 0.021 0.000 1.908 471 A HA -0.201 4.119 4.320 0.000 0.000 0.218 471 A C 1.921 179.522 177.584 0.028 0.000 1.181 471 A CA 1.746 53.799 52.037 0.027 0.000 0.627 471 A CB -0.530 18.491 19.000 0.035 0.000 0.818 471 A HN 0.676 nan 8.150 nan 0.000 0.445 472 E N -0.314 119.907 120.200 0.035 0.000 2.107 472 E HA -0.063 4.288 4.350 0.000 0.000 0.191 472 E C 1.920 178.535 176.600 0.025 0.000 0.982 472 E CA 0.872 57.292 56.400 0.034 0.000 0.809 472 E CB -0.244 29.484 29.700 0.045 0.000 0.756 472 E HN 0.615 nan 8.360 nan 0.000 0.459 473 L N 0.528 121.765 121.223 0.023 0.000 2.093 473 L HA -0.147 4.193 4.340 0.000 0.000 0.208 473 L C 2.641 179.514 176.870 0.004 0.000 1.085 473 L CA 0.900 55.744 54.840 0.008 0.000 0.755 473 L CB -0.155 41.906 42.059 0.003 0.000 0.904 473 L HN 0.016 nan 8.230 nan 0.000 0.435 474 R N -0.201 120.304 120.500 0.008 0.000 2.062 474 R HA -0.049 4.291 4.340 0.000 0.000 0.226 474 R C 1.814 178.119 176.300 0.009 0.000 1.125 474 R CA 1.710 57.814 56.100 0.006 0.000 0.966 474 R CB -0.452 29.853 30.300 0.008 0.000 0.861 474 R HN 0.352 nan 8.270 nan 0.000 0.433 475 C N 0.123 119.431 119.300 0.014 0.000 3.038 475 C HA 0.657 5.117 4.460 0.000 0.000 0.279 475 C C 0.634 175.633 174.990 0.015 0.000 1.276 475 C CA -0.333 58.694 59.018 0.015 0.000 1.697 475 C CB -0.796 26.955 27.740 0.018 0.000 2.032 475 C HN 0.741 nan 8.230 nan 0.000 0.636 476 G N 1.693 110.502 108.800 0.015 0.000 2.758 476 G HA2 -0.145 3.815 3.960 0.000 0.000 0.686 476 G HA3 -0.145 3.815 3.960 0.000 0.000 0.686 476 G C 0.707 175.619 174.900 0.021 0.000 1.389 476 G CA 0.063 45.173 45.100 0.016 0.000 0.845 476 G HN 0.774 nan 8.290 nan 0.000 0.572 477 S N -0.673 115.040 115.700 0.021 0.000 2.419 477 S HA 0.032 4.502 4.470 0.000 0.000 0.235 477 S C 2.365 176.980 174.600 0.024 0.000 1.019 477 S CA 1.939 60.154 58.200 0.025 0.000 0.982 477 S CB -0.202 63.012 63.200 0.023 0.000 0.789 477 S HN 2.181 nan 8.310 nan 0.000 0.490 478 G N 0.766 109.578 108.800 0.021 0.000 2.920 478 G HA2 0.372 4.332 3.960 0.000 0.000 0.208 478 G HA3 0.372 4.332 3.960 0.000 0.000 0.208 478 G C 0.521 175.434 174.900 0.021 0.000 1.159 478 G CA -0.130 44.982 45.100 0.020 0.000 0.784 478 G HN 0.601 nan 8.290 nan 0.000 0.535 479 L N 0.973 122.210 121.223 0.023 0.000 3.660 479 L HA -0.146 4.194 4.340 0.000 0.000 0.440 479 L C -0.885 175.997 176.870 0.021 0.000 1.262 479 L CA -0.099 54.756 54.840 0.024 0.000 0.837 479 L CB -1.703 40.373 42.059 0.028 0.000 1.689 479 L HN 0.214 nan 8.230 nan 0.000 0.890 480 D N 1.364 121.775 120.400 0.018 0.000 2.450 480 D HA 0.303 4.943 4.640 0.000 0.000 0.247 480 D C 1.378 177.688 176.300 0.016 0.000 1.162 480 D CA 1.309 55.319 54.000 0.016 0.000 0.879 480 D CB 1.309 42.117 40.800 0.014 0.000 1.163 480 D HN 0.528 nan 8.370 nan 0.000 0.472 481 G N 1.364 110.174 108.800 0.016 0.000 2.241 481 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 481 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 481 G C 0.460 175.372 174.900 0.020 0.000 0.998 481 G CA 0.081 45.191 45.100 0.017 0.000 0.621 481 G HN 0.524 nan 8.290 nan 0.000 0.519 482 V N 2.715 122.642 119.914 0.022 0.000 2.715 482 V HA 0.475 4.595 4.120 0.000 0.000 0.299 482 V C 1.526 177.636 176.094 0.026 0.000 1.054 482 V CA 0.226 62.542 62.300 0.027 0.000 1.077 482 V CB 1.359 33.199 31.823 0.029 0.000 0.972 482 V HN 1.100 nan 8.190 nan 0.000 0.484 483 S N 4.791 120.510 115.700 0.030 0.000 2.580 483 S HA 0.132 4.602 4.470 0.000 0.000 0.266 483 S C -1.741 172.872 174.600 0.022 0.000 1.354 483 S CA -0.617 57.599 58.200 0.028 0.000 1.008 483 S CB 0.490 63.712 63.200 0.036 0.000 0.898 483 S HN 0.569 nan 8.310 nan 0.000 0.555 484 P HA -0.022 nan 4.420 nan 0.000 0.216 484 P C 1.658 178.964 177.300 0.009 0.000 1.153 484 P CA 1.926 65.033 63.100 0.012 0.000 0.848 484 P CB -0.254 31.451 31.700 0.009 0.000 0.787 485 A N -0.281 122.542 122.820 0.005 0.000 1.902 485 A HA -0.074 4.246 4.320 0.000 0.000 0.217 485 A C 2.466 180.050 177.584 -0.000 0.000 1.181 485 A CA 2.055 54.087 52.037 -0.007 0.000 0.623 485 A CB -1.866 17.124 19.000 -0.015 0.000 0.818 485 A HN 0.269 nan 8.150 nan 0.000 0.443 486 G N -0.383 108.427 108.800 0.016 0.000 2.418 486 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 486 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 486 G C 1.688 176.607 174.900 0.032 0.000 1.158 486 G CA 1.089 46.206 45.100 0.028 0.000 0.771 486 G HN 0.564 nan 8.290 nan 0.000 0.545 487 K N 0.179 120.596 120.400 0.028 0.000 2.057 487 K HA -0.042 4.278 4.320 0.000 0.000 0.207 487 K C 2.441 179.060 176.600 0.033 0.000 1.049 487 K CA 1.263 57.568 56.287 0.031 0.000 0.931 487 K CB -0.130 32.385 32.500 0.025 0.000 0.714 487 K HN 0.259 nan 8.250 nan 0.000 0.440 488 K N 1.439 121.853 120.400 0.024 0.000 2.057 488 K HA -0.137 4.183 4.320 0.000 0.000 0.207 488 K C 2.164 178.787 176.600 0.038 0.000 1.049 488 K CA 1.002 57.303 56.287 0.024 0.000 0.931 488 K CB -0.100 32.405 32.500 0.008 0.000 0.714 488 K HN 0.105 nan 8.250 nan 0.000 0.440 489 L N 0.766 122.008 121.223 0.033 0.000 2.017 489 L HA -0.174 4.166 4.340 0.000 0.000 0.208 489 L C 2.083 179.019 176.870 0.109 0.000 1.073 489 L CA 1.169 56.045 54.840 0.061 0.000 0.745 489 L CB -0.152 41.928 42.059 0.034 0.000 0.894 489 L HN 0.032 nan 8.230 nan 0.000 0.432 490 V N -0.060 119.906 119.914 0.088 0.000 2.358 490 V HA -0.300 3.820 4.120 0.000 0.000 0.246 490 V C 2.467 178.617 176.094 0.093 0.000 1.047 490 V CA 2.011 64.367 62.300 0.094 0.000 1.035 490 V CB -0.651 31.215 31.823 0.072 0.000 0.658 490 V HN 0.550 nan 8.190 nan 0.000 0.452 491 Q N 0.040 119.883 119.800 0.072 0.000 2.084 491 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 491 Q C 2.412 178.456 176.000 0.073 0.000 0.978 491 Q CA 1.804 57.645 55.803 0.063 0.000 0.844 491 Q CB -0.452 28.313 28.738 0.045 0.000 0.898 491 Q HN 0.672 nan 8.270 nan 0.000 0.426 492 A N 0.830 123.702 122.820 0.087 0.000 1.933 492 A HA -0.141 4.179 4.320 0.000 0.000 0.218 492 A C 2.063 179.725 177.584 0.130 0.000 1.175 492 A CA 1.037 53.133 52.037 0.098 0.000 0.628 492 A CB -0.584 18.489 19.000 0.121 0.000 0.814 492 A HN 0.277 nan 8.150 nan 0.000 0.444 493 L N -1.126 120.202 121.223 0.175 0.000 2.056 493 L HA -0.122 4.218 4.340 0.000 0.000 0.207 493 L C 2.616 179.639 176.870 0.255 0.000 1.078 493 L CA 0.868 55.858 54.840 0.251 0.000 0.749 493 L CB -0.409 41.774 42.059 0.206 0.000 0.901 493 L HN 0.248 nan 8.230 nan 0.000 0.433 494 R N 0.435 121.029 120.500 0.158 0.000 2.285 494 R HA -0.115 4.225 4.340 0.000 0.000 0.213 494 R C 1.813 178.143 176.300 0.050 0.000 1.068 494 R CA 0.698 56.867 56.100 0.115 0.000 1.004 494 R CB -0.335 30.016 30.300 0.086 0.000 0.873 494 R HN 0.563 nan 8.270 nan 0.000 0.467 495 E N 0.036 120.254 120.200 0.030 0.000 2.152 495 E HA -0.136 4.214 4.350 0.000 0.000 0.192 495 E C 1.414 177.948 176.600 -0.110 0.000 0.983 495 E CA 0.732 57.116 56.400 -0.027 0.000 0.818 495 E CB 0.247 29.935 29.700 -0.020 0.000 0.758 495 E HN 0.231 nan 8.360 nan 0.000 0.467 496 Q N -0.981 118.702 119.800 -0.194 0.000 2.322 496 Q HA 0.145 4.485 4.340 0.000 0.000 0.250 496 Q C -0.254 175.273 176.000 -0.789 0.000 0.853 496 Q CA 0.333 55.818 55.803 -0.529 0.000 0.951 496 Q CB 0.764 29.040 28.738 -0.770 0.000 1.114 496 Q HN 0.125 nan 8.270 nan 0.000 0.523 497 F N 2.202 122.146 119.950 -0.010 0.000 2.382 497 F HA 0.427 4.954 4.527 0.000 0.000 0.361 497 F C -2.126 173.689 175.800 0.025 0.000 1.109 497 F CA -2.628 55.377 58.000 0.009 0.000 1.031 497 F CB 1.345 40.355 39.000 0.016 0.000 1.234 497 F HN -0.196 nan 8.300 nan 0.000 0.445 498 P HA 0.123 nan 4.420 nan 0.000 0.272 498 P C -2.351 175.021 177.300 0.120 0.000 1.230 498 P CA -0.923 62.229 63.100 0.087 0.000 0.788 498 P CB 0.021 31.746 31.700 0.042 0.000 0.949 499 P HA 0.075 nan 4.420 nan 0.000 0.272 499 P C -0.760 176.588 177.300 0.081 0.000 1.240 499 P CA -0.136 63.029 63.100 0.108 0.000 0.791 499 P CB 0.497 32.246 31.700 0.082 0.000 0.978 500 L N 1.949 123.221 121.223 0.082 0.000 2.328 500 L HA 0.164 4.505 4.340 0.000 0.000 0.280 500 L C 1.254 178.129 176.870 0.009 0.000 1.111 500 L CA 0.444 55.280 54.840 -0.005 0.000 0.909 500 L CB -0.500 41.469 42.059 -0.151 0.000 1.277 500 L HN 0.317 nan 8.230 nan 0.000 0.433 501 E N 1.298 121.504 120.200 0.010 0.000 2.250 501 E HA 0.051 4.401 4.350 0.000 0.000 0.192 501 E C 0.133 176.743 176.600 0.017 0.000 0.986 501 E CA 0.410 56.821 56.400 0.017 0.000 0.849 501 E CB 0.477 30.188 29.700 0.018 0.000 0.797 501 E HN 0.576 nan 8.360 nan 0.000 0.482 502 T N 0.296 114.850 114.554 -0.000 0.000 2.932 502 T HA 0.108 4.458 4.350 0.000 0.000 0.318 502 T C -1.821 172.860 174.700 -0.032 0.000 1.265 502 T CA -0.973 61.127 62.100 0.000 0.000 1.036 502 T CB 1.359 70.228 68.868 0.003 0.000 1.209 502 T HN -0.218 nan 8.240 nan 0.000 0.484 503 D N 2.924 123.301 120.400 -0.038 0.000 2.525 503 D HA 0.307 4.947 4.640 0.000 0.000 0.235 503 D C 0.598 176.859 176.300 -0.065 0.000 1.137 503 D CA 0.717 54.674 54.000 -0.072 0.000 0.868 503 D CB 0.347 41.109 40.800 -0.062 0.000 1.180 503 D HN 0.678 nan 8.370 nan 0.000 0.465 504 R N 0.481 120.931 120.500 -0.084 0.000 2.710 504 R HA 0.631 4.971 4.340 0.000 0.000 0.270 504 R C -3.128 173.137 176.300 -0.059 0.000 1.021 504 R CA -1.752 54.313 56.100 -0.057 0.000 0.889 504 R CB 0.350 30.625 30.300 -0.042 0.000 1.243 504 R HN 0.002 nan 8.270 nan 0.000 0.464 505 P HA 0.117 nan 4.420 nan 0.000 0.267 505 P C -0.276 177.017 177.300 -0.012 0.000 1.205 505 P CA -0.191 62.895 63.100 -0.024 0.000 0.765 505 P CB 0.595 32.287 31.700 -0.012 0.000 0.828 506 L N 1.740 122.958 121.223 -0.008 0.000 2.638 506 L HA 0.161 4.501 4.340 0.000 0.000 0.232 506 L C 2.348 179.239 176.870 0.036 0.000 1.099 506 L CA 0.443 55.295 54.840 0.020 0.000 0.883 506 L CB -0.411 41.659 42.059 0.020 0.000 1.136 506 L HN 0.533 nan 8.230 nan 0.000 0.492 507 G N 0.343 109.157 108.800 0.023 0.000 2.574 507 G HA2 -0.331 3.629 3.960 0.000 0.000 0.220 507 G HA3 -0.331 3.629 3.960 0.000 0.000 0.220 507 G C 1.405 176.324 174.900 0.031 0.000 1.173 507 G CA 0.880 45.994 45.100 0.023 0.000 0.772 507 G HN 0.383 nan 8.290 nan 0.000 0.585 508 Q N -0.157 119.666 119.800 0.038 0.000 2.124 508 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 508 Q C 2.550 178.604 176.000 0.090 0.000 0.977 508 Q CA 1.300 57.133 55.803 0.050 0.000 0.850 508 Q CB -0.105 28.658 28.738 0.042 0.000 0.901 508 Q HN 0.636 nan 8.270 nan 0.000 0.429 509 E N 0.533 120.806 120.200 0.123 0.000 2.106 509 E HA -0.155 4.195 4.350 0.000 0.000 0.192 509 E C 1.936 178.578 176.600 0.071 0.000 0.984 509 E CA 0.779 57.320 56.400 0.235 0.000 0.806 509 E CB -0.027 29.843 29.700 0.284 0.000 0.750 509 E HN 0.342 nan 8.360 nan 0.000 0.458 510 I N 1.071 121.645 120.570 0.007 0.000 2.179 510 I HA -0.290 3.880 4.170 0.000 0.000 0.242 510 I C 2.532 178.620 176.117 -0.049 0.000 1.088 510 I CA 1.061 62.327 61.300 -0.057 0.000 1.357 510 I CB -0.305 37.684 38.000 -0.018 0.000 1.051 510 I HN 0.097 nan 8.210 nan 0.000 0.409 511 A N 0.642 123.462 122.820 0.000 0.000 1.902 511 A HA -0.142 4.178 4.320 0.000 0.000 0.217 511 A C 2.533 180.131 177.584 0.023 0.000 1.181 511 A CA 1.814 53.855 52.037 0.007 0.000 0.623 511 A CB -0.820 18.192 19.000 0.021 0.000 0.818 511 A HN 0.435 nan 8.150 nan 0.000 0.443 512 A N -0.599 122.265 122.820 0.073 0.000 1.902 512 A HA -0.017 4.303 4.320 0.000 0.000 0.217 512 A C 2.118 179.783 177.584 0.135 0.000 1.181 512 A CA 1.727 53.842 52.037 0.131 0.000 0.623 512 A CB -0.587 18.546 19.000 0.223 0.000 0.818 512 A HN 0.631 nan 8.150 nan 0.000 0.443 513 L N -0.219 121.023 121.223 0.032 0.000 2.056 513 L HA -0.010 4.330 4.340 0.000 0.000 0.207 513 L C 2.673 179.448 176.870 -0.158 0.000 1.078 513 L CA 2.044 56.794 54.840 -0.151 0.000 0.749 513 L CB -0.924 40.781 42.059 -0.590 0.000 0.901 513 L HN 0.349 nan 8.230 nan 0.000 0.433 514 A N -1.518 121.211 122.820 -0.152 0.000 1.908 514 A HA -0.242 4.078 4.320 0.000 0.000 0.218 514 A C 2.267 179.784 177.584 -0.112 0.000 1.181 514 A CA 2.418 54.357 52.037 -0.162 0.000 0.627 514 A CB -1.258 17.680 19.000 -0.103 0.000 0.818 514 A HN 0.506 nan 8.150 nan 0.000 0.445 515 T N -1.456 113.078 114.554 -0.033 0.000 2.788 515 T HA -0.171 4.179 4.350 0.000 0.000 0.268 515 T C 1.852 176.555 174.700 0.005 0.000 1.044 515 T CA 1.917 64.018 62.100 0.002 0.000 1.139 515 T CB -0.392 68.498 68.868 0.037 0.000 0.867 515 T HN 0.801 nan 8.240 nan 0.000 0.454 516 H N 1.112 120.136 119.070 -0.076 0.000 2.326 516 H HA 0.115 4.671 4.556 0.000 0.000 0.301 516 H C 2.020 177.268 175.328 -0.135 0.000 1.081 516 H CA 1.199 57.206 56.048 -0.067 0.000 1.334 516 H CB -0.498 29.248 29.762 -0.025 0.000 1.385 516 H HN 0.235 nan 8.280 nan 0.000 0.504 517 L N -0.059 120.955 121.223 -0.348 0.000 2.079 517 L HA -0.190 4.150 4.340 0.000 0.000 0.210 517 L C 2.397 179.094 176.870 -0.289 0.000 1.081 517 L CA 1.143 55.633 54.840 -0.583 0.000 0.752 517 L CB -0.570 40.971 42.059 -0.864 0.000 0.896 517 L HN 0.331 nan 8.230 nan 0.000 0.433 518 L N -0.741 120.358 121.223 -0.206 0.000 2.275 518 L HA -0.189 4.151 4.340 0.000 0.000 0.215 518 L C 2.248 179.078 176.870 -0.068 0.000 1.119 518 L CA 1.117 55.904 54.840 -0.088 0.000 0.790 518 L CB -0.239 41.803 42.059 -0.029 0.000 0.919 518 L HN 0.401 nan 8.230 nan 0.000 0.443 519 Q N -1.621 118.052 119.800 -0.212 0.000 2.280 519 Q HA 0.190 4.530 4.340 0.000 0.000 0.228 519 Q C 0.004 175.565 176.000 -0.732 0.000 0.857 519 Q CA 0.059 55.698 55.803 -0.273 0.000 0.939 519 Q CB 1.028 29.721 28.738 -0.074 0.000 1.114 519 Q HN 0.439 nan 8.270 nan 0.000 0.514 520 Q N -0.106 119.238 119.800 -0.760 0.000 2.379 520 Q HA 0.464 4.804 4.340 0.000 0.000 0.278 520 Q C -1.265 174.631 176.000 -0.174 0.000 1.068 520 Q CA -0.402 55.037 55.803 -0.608 0.000 0.816 520 Q CB 2.712 31.204 28.738 -0.411 0.000 1.387 520 Q HN -0.052 nan 8.270 nan 0.000 0.413 521 S N 1.981 117.648 115.700 -0.055 0.000 2.690 521 S HA 0.592 5.062 4.470 0.000 0.000 0.291 521 S C -2.417 171.967 174.600 -0.359 0.000 1.138 521 S CA -1.143 56.962 58.200 -0.160 0.000 1.013 521 S CB 0.926 64.081 63.200 -0.075 0.000 1.053 521 S HN 0.420 nan 8.310 nan 0.000 0.539 522 P HA 0.352 nan 4.420 nan 0.000 0.287 522 P C -0.819 176.286 177.300 -0.325 0.000 1.307 522 P CA -0.198 62.508 63.100 -0.658 0.000 0.777 522 P CB 0.523 31.561 31.700 -1.103 0.000 0.883 523 V N 0.000 119.818 119.914 -0.161 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.072 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556